USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= 0.941 K(o=2,f=0.22) USER MOD Set 1.2: A 109 SER OG : rot 5:sc= 1.07 USER MOD Set 2.1: A 107 THR OG1 : rot -125:sc= 1.38 USER MOD Set 2.2: A 112 HIS :FLIP no HD1:sc= -3.41! C(o=-6.7!,f=-2!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -161:sc= 1.33 (180deg=0) USER MOD Set 3.2: A 81 SER OG : rot 180:sc= 0.985 USER MOD Set 4.1: A 12 HIS : no HD1:sc= -0.186 K(o=0.35,f=-12!) USER MOD Set 4.2: A 68 CYS SG : rot 130:sc= 0.532 USER MOD Set 4.3: A 70 SER OG : rot 170:sc= 0 USER MOD Set 5.1: A 25 SER OG : rot 180:sc= 0.917 USER MOD Set 5.2: A 28 THR OG1 : rot -85:sc= 1.37 USER MOD Single : A 16 LYS NZ :NH3+ 127:sc= 1.13 (180deg=0.605) USER MOD Single : A 18 SER OG : rot -79:sc= 1.14 USER MOD Single : A 20 SER OG : rot 112:sc= 1.44 USER MOD Single : A 31 SER OG : rot 87:sc= 1.07 USER MOD Single : A 32 THR OG1 : rot -151:sc= -0.453 USER MOD Single : A 36 THR OG1 : rot -91:sc= 1.54 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc=-0.00177 F(o=-1.1,f=-0.0018) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0311) USER MOD Single : A 48 SER OG : rot -170:sc= -0.188 USER MOD Single : A 49 GLN : amide:sc= 0.0576 X(o=0.058,f=-0.017) USER MOD Single : A 53 SER OG : rot 167:sc= -0.763! USER MOD Single : A 57 SER OG : rot 180:sc= -1.17 USER MOD Single : A 63 SER OG : rot -57:sc= 0.113 USER MOD Single : A 64 GLN : amide:sc= 1.2 K(o=1.2,f=-0.045) USER MOD Single : A 66 SER OG : rot -59:sc= 1.3 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -169:sc= -1.73 (180deg=-1.89) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= -0.0503 (180deg=-0.244) USER MOD Single : A 97 LYS NZ :NH3+ 172:sc=-0.00993 (180deg=-0.0856) USER MOD Single : A 102 SER OG : rot 120:sc= 0.98 USER MOD Single : A 106 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -124:sc= 0.641 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -19.183 -4.534 -2.676 1.00 0.57 N ATOM 47 CA LYS A 7 -18.209 -3.895 -3.545 1.00 0.51 C ATOM 48 C LYS A 7 -17.573 -2.690 -2.872 1.00 0.42 C ATOM 49 O LYS A 7 -18.251 -1.864 -2.260 1.00 0.60 O ATOM 50 CB LYS A 7 -18.844 -3.498 -4.875 1.00 0.64 C ATOM 51 CG LYS A 7 -19.236 -4.695 -5.720 1.00 0.92 C ATOM 52 CD LYS A 7 -18.020 -5.454 -6.236 1.00 0.87 C ATOM 53 CE LYS A 7 -18.434 -6.767 -6.886 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.275 -7.644 -7.194 1.00 1.19 N ATOM 0 HA LYS A 7 -17.420 -4.620 -3.745 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.728 -2.890 -4.683 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.145 -2.877 -5.435 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.859 -5.367 -5.129 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -19.839 -4.361 -6.564 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.483 -4.840 -6.958 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -17.334 -5.652 -5.413 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -19.119 -7.296 -6.223 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -18.980 -6.556 -7.806 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.554 -8.352 -7.903 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -16.494 -7.068 -7.568 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -16.965 -8.126 -6.327 1.00 1.19 H new ATOM 68 N LEU A 8 -16.263 -2.617 -2.995 1.00 0.33 N ATOM 69 CA LEU A 8 -15.461 -1.585 -2.368 1.00 0.26 C ATOM 70 C LEU A 8 -14.428 -1.104 -3.387 1.00 0.22 C ATOM 71 O LEU A 8 -14.141 -1.812 -4.348 1.00 0.22 O ATOM 72 CB LEU A 8 -14.772 -2.200 -1.141 1.00 0.25 C ATOM 73 CG LEU A 8 -14.463 -1.283 0.054 1.00 0.33 C ATOM 74 CD1 LEU A 8 -14.004 -2.129 1.226 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.382 -0.271 -0.270 1.00 0.81 C ATOM 0 H LEU A 8 -15.717 -3.283 -3.542 1.00 0.33 H new ATOM 0 HA LEU A 8 -16.068 -0.738 -2.049 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.399 -3.016 -0.781 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.833 -2.642 -1.473 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.375 -0.738 0.298 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.783 -1.484 2.076 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.792 -2.831 1.498 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.106 -2.681 0.947 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.197 0.355 0.603 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.465 -0.793 -0.544 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.706 0.354 -1.102 1.00 0.81 H new ATOM 87 N ARG A 9 -13.900 0.091 -3.203 1.00 0.24 N ATOM 88 CA ARG A 9 -12.795 0.575 -4.018 1.00 0.23 C ATOM 89 C ARG A 9 -11.727 1.155 -3.106 1.00 0.20 C ATOM 90 O ARG A 9 -12.038 1.952 -2.221 1.00 0.21 O ATOM 91 CB ARG A 9 -13.269 1.633 -5.019 1.00 0.25 C ATOM 92 CG ARG A 9 -12.142 2.207 -5.866 1.00 0.26 C ATOM 93 CD ARG A 9 -12.638 3.266 -6.837 1.00 0.34 C ATOM 94 NE ARG A 9 -11.532 3.940 -7.520 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.687 4.770 -8.553 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.902 5.087 -8.978 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.625 5.292 -9.157 1.00 0.98 N ATOM 0 H ARG A 9 -14.219 0.750 -2.493 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.384 -0.258 -4.588 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -14.019 1.192 -5.675 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.756 2.444 -4.477 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.384 2.641 -5.214 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.661 1.402 -6.422 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.293 2.804 -7.575 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.235 4.002 -6.298 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.585 3.764 -7.185 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.722 4.696 -8.515 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.016 5.722 -9.768 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.687 5.059 -8.831 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.748 5.926 -9.946 1.00 0.98 H new ATOM 111 N ALA A 10 -10.475 0.763 -3.298 1.00 0.20 N ATOM 112 CA ALA A 10 -9.421 1.198 -2.395 1.00 0.17 C ATOM 113 C ALA A 10 -8.095 1.395 -3.122 1.00 0.16 C ATOM 114 O ALA A 10 -7.853 0.798 -4.171 1.00 0.17 O ATOM 115 CB ALA A 10 -9.270 0.195 -1.260 1.00 0.22 C ATOM 0 H ALA A 10 -10.168 0.155 -4.058 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.706 2.166 -1.984 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.479 0.525 -0.586 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.209 0.123 -0.711 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -9.014 -0.782 -1.670 1.00 0.22 H new ATOM 121 N ALA A 11 -7.247 2.246 -2.560 1.00 0.17 N ATOM 122 CA ALA A 11 -5.924 2.507 -3.110 1.00 0.18 C ATOM 123 C ALA A 11 -4.862 2.027 -2.143 1.00 0.17 C ATOM 124 O ALA A 11 -4.967 2.258 -0.943 1.00 0.19 O ATOM 125 CB ALA A 11 -5.741 3.990 -3.396 1.00 0.20 C ATOM 0 H ALA A 11 -7.456 2.773 -1.712 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.825 1.964 -4.050 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.746 4.161 -3.806 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.491 4.317 -4.116 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.855 4.556 -2.471 1.00 0.20 H new ATOM 131 N HIS A 12 -3.831 1.378 -2.660 1.00 0.16 N ATOM 132 CA HIS A 12 -2.854 0.732 -1.799 1.00 0.16 C ATOM 133 C HIS A 12 -1.434 0.924 -2.321 1.00 0.15 C ATOM 134 O HIS A 12 -1.212 1.052 -3.524 1.00 0.19 O ATOM 135 CB HIS A 12 -3.166 -0.760 -1.672 1.00 0.17 C ATOM 136 CG HIS A 12 -2.895 -1.558 -2.914 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.632 -1.438 -4.068 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.956 -2.495 -3.167 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.153 -2.272 -4.972 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.140 -2.924 -4.452 1.00 0.21 N ATOM 0 H HIS A 12 -3.650 1.285 -3.660 1.00 0.16 H new ATOM 0 HA HIS A 12 -2.918 1.200 -0.816 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.577 -1.174 -0.853 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.215 -0.878 -1.401 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.198 -2.842 -2.480 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.533 -2.397 -5.975 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.582 -3.633 -4.928 1.00 0.21 H new ATOM 149 N LEU A 13 -0.482 0.923 -1.403 1.00 0.15 N ATOM 150 CA LEU A 13 0.927 1.051 -1.747 1.00 0.14 C ATOM 151 C LEU A 13 1.653 -0.206 -1.274 1.00 0.16 C ATOM 152 O LEU A 13 1.282 -0.784 -0.253 1.00 0.24 O ATOM 153 CB LEU A 13 1.506 2.322 -1.095 1.00 0.15 C ATOM 154 CG LEU A 13 2.801 2.878 -1.710 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.979 4.339 -1.332 1.00 0.16 C ATOM 156 CD2 LEU A 13 4.015 2.083 -1.259 1.00 0.18 C ATOM 0 H LEU A 13 -0.661 0.834 -0.403 1.00 0.15 H new ATOM 0 HA LEU A 13 1.057 1.147 -2.825 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.746 3.103 -1.135 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.691 2.111 -0.042 1.00 0.15 H new ATOM 0 HG LEU A 13 2.716 2.790 -2.793 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.900 4.720 -1.774 1.00 0.16 H new ATOM 0 HD12 LEU A 13 2.132 4.917 -1.703 1.00 0.16 H new ATOM 0 HD13 LEU A 13 3.033 4.430 -0.247 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.913 2.502 -1.712 1.00 0.18 H new ATOM 0 HD22 LEU A 13 4.099 2.132 -0.173 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.904 1.044 -1.568 1.00 0.18 H new ATOM 168 N LEU A 14 2.647 -0.649 -2.030 1.00 0.13 N ATOM 169 CA LEU A 14 3.381 -1.867 -1.702 1.00 0.14 C ATOM 170 C LEU A 14 4.883 -1.628 -1.743 1.00 0.16 C ATOM 171 O LEU A 14 5.428 -1.232 -2.771 1.00 0.27 O ATOM 172 CB LEU A 14 2.996 -2.992 -2.674 1.00 0.16 C ATOM 173 CG LEU A 14 3.869 -4.259 -2.631 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.909 -4.871 -1.238 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.356 -5.278 -3.633 1.00 0.27 C ATOM 0 H LEU A 14 2.966 -0.182 -2.879 1.00 0.13 H new ATOM 0 HA LEU A 14 3.113 -2.164 -0.688 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.964 -3.280 -2.472 1.00 0.16 H new ATOM 0 HB3 LEU A 14 3.023 -2.592 -3.688 1.00 0.16 H new ATOM 0 HG LEU A 14 4.886 -3.969 -2.894 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.535 -5.763 -1.250 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.321 -4.148 -0.535 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.899 -5.141 -0.930 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.980 -6.171 -3.596 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.328 -5.543 -3.388 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.392 -4.852 -4.636 1.00 0.27 H new ATOM 187 N VAL A 15 5.540 -1.863 -0.621 1.00 0.13 N ATOM 188 CA VAL A 15 6.988 -1.756 -0.542 1.00 0.13 C ATOM 189 C VAL A 15 7.600 -3.148 -0.403 1.00 0.13 C ATOM 190 O VAL A 15 7.114 -3.971 0.375 1.00 0.15 O ATOM 191 CB VAL A 15 7.438 -0.873 0.650 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.955 -0.764 0.707 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.812 0.512 0.564 1.00 0.15 C ATOM 0 H VAL A 15 5.091 -2.131 0.255 1.00 0.13 H new ATOM 0 HA VAL A 15 7.335 -1.282 -1.460 1.00 0.13 H new ATOM 0 HB VAL A 15 7.095 -1.352 1.567 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.243 -0.139 1.552 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.387 -1.758 0.826 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.323 -0.317 -0.217 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.142 1.114 1.411 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.119 0.993 -0.365 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.726 0.422 0.584 1.00 0.15 H new ATOM 203 N LYS A 16 8.639 -3.412 -1.181 1.00 0.15 N ATOM 204 CA LYS A 16 9.361 -4.676 -1.108 1.00 0.17 C ATOM 205 C LYS A 16 10.703 -4.450 -0.421 1.00 0.16 C ATOM 206 O LYS A 16 11.268 -3.358 -0.509 1.00 0.24 O ATOM 207 CB LYS A 16 9.585 -5.253 -2.514 1.00 0.23 C ATOM 208 CG LYS A 16 8.313 -5.691 -3.222 1.00 0.26 C ATOM 209 CD LYS A 16 7.775 -6.986 -2.640 1.00 0.37 C ATOM 210 CE LYS A 16 6.467 -7.412 -3.292 1.00 0.48 C ATOM 211 NZ LYS A 16 6.621 -7.723 -4.738 1.00 0.62 N ATOM 0 H LYS A 16 9.005 -2.762 -1.877 1.00 0.15 H new ATOM 0 HA LYS A 16 8.769 -5.389 -0.534 1.00 0.17 H new ATOM 0 HB2 LYS A 16 10.087 -4.503 -3.126 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.258 -6.107 -2.440 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.558 -4.909 -3.135 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.513 -5.823 -4.285 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.516 -7.775 -2.768 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.621 -6.864 -1.568 1.00 0.37 H new ATOM 0 HE2 LYS A 16 6.077 -8.289 -2.775 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.730 -6.618 -3.172 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 6.237 -8.670 -4.932 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.105 -7.018 -5.302 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.629 -7.700 -4.993 1.00 0.62 H new ATOM 225 N PHE A 17 11.218 -5.472 0.246 1.00 0.17 N ATOM 226 CA PHE A 17 12.481 -5.348 0.958 1.00 0.17 C ATOM 227 C PHE A 17 13.295 -6.628 0.844 1.00 0.19 C ATOM 228 O PHE A 17 12.775 -7.670 0.447 1.00 0.21 O ATOM 229 CB PHE A 17 12.265 -4.956 2.427 1.00 0.17 C ATOM 230 CG PHE A 17 11.439 -5.916 3.245 1.00 0.17 C ATOM 231 CD1 PHE A 17 12.022 -7.020 3.850 1.00 0.19 C ATOM 232 CD2 PHE A 17 10.084 -5.694 3.433 1.00 0.20 C ATOM 233 CE1 PHE A 17 11.268 -7.887 4.619 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.327 -6.555 4.206 1.00 0.23 C ATOM 235 CZ PHE A 17 9.918 -7.652 4.799 1.00 0.25 C ATOM 0 H PHE A 17 10.783 -6.393 0.309 1.00 0.17 H new ATOM 0 HA PHE A 17 13.048 -4.544 0.488 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.240 -4.848 2.902 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.786 -3.977 2.456 1.00 0.17 H new ATOM 0 HD1 PHE A 17 13.078 -7.204 3.719 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.614 -4.839 2.970 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.733 -8.747 5.078 1.00 0.23 H new ATOM 0 HE2 PHE A 17 8.272 -6.369 4.346 1.00 0.23 H new ATOM 0 HZ PHE A 17 9.327 -8.325 5.402 1.00 0.25 H new ATOM 245 N SER A 18 14.585 -6.521 1.125 1.00 0.22 N ATOM 246 CA SER A 18 15.488 -7.660 1.075 1.00 0.26 C ATOM 247 C SER A 18 14.931 -8.842 1.868 1.00 0.30 C ATOM 248 O SER A 18 14.835 -8.794 3.094 1.00 0.30 O ATOM 249 CB SER A 18 16.862 -7.251 1.618 1.00 0.29 C ATOM 250 OG SER A 18 16.753 -6.635 2.892 1.00 1.04 O ATOM 0 H SER A 18 15.034 -5.645 1.393 1.00 0.22 H new ATOM 0 HA SER A 18 15.590 -7.976 0.037 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.502 -8.130 1.691 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.341 -6.564 0.920 1.00 0.29 H new ATOM 0 HG SER A 18 16.470 -5.703 2.782 1.00 1.04 H new ATOM 256 N GLY A 19 14.541 -9.894 1.159 1.00 0.35 N ATOM 257 CA GLY A 19 14.057 -11.084 1.820 1.00 0.45 C ATOM 258 C GLY A 19 12.546 -11.125 1.955 1.00 0.42 C ATOM 259 O GLY A 19 12.010 -12.008 2.624 1.00 0.53 O ATOM 0 H GLY A 19 14.552 -9.942 0.140 1.00 0.35 H new ATOM 0 HA2 GLY A 19 14.389 -11.960 1.263 1.00 0.45 H new ATOM 0 HA3 GLY A 19 14.505 -11.148 2.812 1.00 0.45 H new ATOM 263 N SER A 20 11.841 -10.191 1.325 1.00 0.34 N ATOM 264 CA SER A 20 10.387 -10.166 1.441 1.00 0.41 C ATOM 265 C SER A 20 9.747 -10.992 0.327 1.00 0.40 C ATOM 266 O SER A 20 8.810 -10.544 -0.339 1.00 0.45 O ATOM 267 CB SER A 20 9.868 -8.724 1.419 1.00 0.51 C ATOM 268 OG SER A 20 10.065 -8.108 0.155 1.00 0.70 O ATOM 0 H SER A 20 12.241 -9.457 0.741 1.00 0.34 H new ATOM 0 HA SER A 20 10.109 -10.611 2.397 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.806 -8.717 1.664 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.377 -8.144 2.189 1.00 0.51 H new ATOM 0 HG SER A 20 9.197 -7.958 -0.274 1.00 0.70 H new ATOM 274 N ARG A 21 10.281 -12.198 0.124 1.00 0.43 N ATOM 275 CA ARG A 21 9.818 -13.125 -0.915 1.00 0.49 C ATOM 276 C ARG A 21 10.198 -12.633 -2.318 1.00 0.51 C ATOM 277 O ARG A 21 10.529 -13.430 -3.195 1.00 0.60 O ATOM 278 CB ARG A 21 8.300 -13.342 -0.820 1.00 0.58 C ATOM 279 CG ARG A 21 7.759 -14.306 -1.855 1.00 1.25 C ATOM 280 CD ARG A 21 6.248 -14.423 -1.777 1.00 1.25 C ATOM 281 NE ARG A 21 5.713 -15.149 -2.926 1.00 2.28 N ATOM 282 CZ ARG A 21 4.421 -15.215 -3.243 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.506 -14.597 -2.503 1.00 1.89 N ATOM 284 NH2 ARG A 21 4.044 -15.899 -4.318 1.00 3.49 N ATOM 0 H ARG A 21 11.054 -12.564 0.680 1.00 0.43 H new ATOM 0 HA ARG A 21 10.318 -14.079 -0.745 1.00 0.49 H new ATOM 0 HB2 ARG A 21 8.056 -13.716 0.175 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.797 -12.382 -0.932 1.00 0.58 H new ATOM 0 HG2 ARG A 21 8.047 -13.970 -2.851 1.00 1.25 H new ATOM 0 HG3 ARG A 21 8.208 -15.288 -1.708 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.968 -14.936 -0.857 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.806 -13.428 -1.735 1.00 1.25 H new ATOM 0 HE ARG A 21 6.375 -15.640 -3.527 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.790 -14.064 -1.681 1.00 1.89 H new ATOM 0 HH12 ARG A 21 2.520 -14.656 -2.757 1.00 1.89 H new ATOM 0 HH21 ARG A 21 4.742 -16.369 -4.894 1.00 3.49 H new ATOM 0 HH22 ARG A 21 3.056 -15.954 -4.567 1.00 3.49 H new ATOM 298 N ASN A 22 10.170 -11.322 -2.515 1.00 0.51 N ATOM 299 CA ASN A 22 10.517 -10.720 -3.794 1.00 0.62 C ATOM 300 C ASN A 22 11.316 -9.444 -3.559 1.00 0.58 C ATOM 301 O ASN A 22 10.741 -8.383 -3.318 1.00 0.64 O ATOM 302 CB ASN A 22 9.259 -10.386 -4.608 1.00 0.87 C ATOM 303 CG ASN A 22 8.392 -11.593 -4.911 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.637 -12.325 -5.869 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.347 -11.789 -4.118 1.00 0.80 N ATOM 0 H ASN A 22 9.907 -10.649 -1.795 1.00 0.51 H new ATOM 0 HA ASN A 22 11.114 -11.438 -4.357 1.00 0.62 H new ATOM 0 HB2 ASN A 22 8.667 -9.652 -4.061 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.557 -9.919 -5.547 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.713 -12.569 -4.293 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.177 -11.160 -3.333 1.00 0.80 H new ATOM 312 N PRO A 23 12.652 -9.522 -3.624 1.00 0.55 N ATOM 313 CA PRO A 23 13.520 -8.386 -3.336 1.00 0.61 C ATOM 314 C PRO A 23 13.704 -7.447 -4.538 1.00 0.79 C ATOM 315 O PRO A 23 14.826 -7.108 -4.906 1.00 1.71 O ATOM 316 CB PRO A 23 14.838 -9.056 -2.976 1.00 0.66 C ATOM 317 CG PRO A 23 14.859 -10.308 -3.791 1.00 0.73 C ATOM 318 CD PRO A 23 13.426 -10.724 -3.986 1.00 0.57 C ATOM 0 HA PRO A 23 13.109 -7.747 -2.555 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.687 -8.414 -3.213 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.893 -9.276 -1.910 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.346 -10.136 -4.751 1.00 0.73 H new ATOM 0 HG3 PRO A 23 15.423 -11.090 -3.283 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.235 -11.026 -5.016 1.00 0.57 H new ATOM 0 HD3 PRO A 23 13.167 -11.572 -3.352 1.00 0.57 H new ATOM 326 N VAL A 24 12.592 -7.023 -5.129 1.00 0.39 N ATOM 327 CA VAL A 24 12.587 -6.076 -6.249 1.00 0.36 C ATOM 328 C VAL A 24 11.333 -5.214 -6.175 1.00 0.32 C ATOM 329 O VAL A 24 10.224 -5.718 -6.324 1.00 0.35 O ATOM 330 CB VAL A 24 12.591 -6.767 -7.635 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.691 -5.724 -8.747 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.713 -7.787 -7.754 1.00 0.48 C ATOM 0 H VAL A 24 11.660 -7.326 -4.846 1.00 0.39 H new ATOM 0 HA VAL A 24 13.500 -5.488 -6.157 1.00 0.36 H new ATOM 0 HB VAL A 24 11.649 -7.306 -7.740 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.693 -6.224 -9.716 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.838 -5.048 -8.689 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.614 -5.155 -8.631 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.681 -8.249 -8.741 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.673 -7.289 -7.617 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.590 -8.554 -6.990 1.00 0.48 H new ATOM 342 N SER A 25 11.504 -3.929 -5.920 1.00 0.32 N ATOM 343 CA SER A 25 10.378 -3.008 -5.861 1.00 0.32 C ATOM 344 C SER A 25 10.316 -2.147 -7.124 1.00 0.32 C ATOM 345 O SER A 25 11.324 -1.975 -7.806 1.00 0.36 O ATOM 346 CB SER A 25 10.504 -2.128 -4.613 1.00 0.42 C ATOM 347 OG SER A 25 11.794 -1.543 -4.528 1.00 1.12 O ATOM 0 H SER A 25 12.412 -3.497 -5.750 1.00 0.32 H new ATOM 0 HA SER A 25 9.453 -3.581 -5.802 1.00 0.32 H new ATOM 0 HB2 SER A 25 9.747 -1.344 -4.639 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.313 -2.726 -3.722 1.00 0.42 H new ATOM 0 HG SER A 25 11.848 -0.985 -3.724 1.00 1.12 H new ATOM 353 N ARG A 26 9.134 -1.598 -7.426 1.00 0.32 N ATOM 354 CA ARG A 26 8.984 -0.619 -8.517 1.00 0.34 C ATOM 355 C ARG A 26 9.790 0.635 -8.207 1.00 0.37 C ATOM 356 O ARG A 26 10.031 1.474 -9.071 1.00 0.44 O ATOM 357 CB ARG A 26 7.515 -0.239 -8.723 1.00 0.39 C ATOM 358 CG ARG A 26 6.745 -1.136 -9.695 1.00 0.52 C ATOM 359 CD ARG A 26 7.226 -2.579 -9.679 1.00 0.82 C ATOM 360 NE ARG A 26 8.343 -2.795 -10.601 1.00 1.21 N ATOM 361 CZ ARG A 26 9.217 -3.796 -10.505 1.00 1.88 C ATOM 362 NH1 ARG A 26 9.189 -4.622 -9.464 1.00 2.47 N ATOM 363 NH2 ARG A 26 10.144 -3.951 -11.441 1.00 2.54 N ATOM 0 H ARG A 26 8.267 -1.812 -6.933 1.00 0.32 H new ATOM 0 HA ARG A 26 9.355 -1.080 -9.432 1.00 0.34 H new ATOM 0 HB2 ARG A 26 7.011 -0.259 -7.757 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.468 0.788 -9.085 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.685 -1.109 -9.443 1.00 0.52 H new ATOM 0 HG3 ARG A 26 6.843 -0.737 -10.705 1.00 0.52 H new ATOM 0 HD2 ARG A 26 7.533 -2.848 -8.668 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.401 -3.239 -9.948 1.00 0.82 H new ATOM 0 HE ARG A 26 8.460 -2.134 -11.369 1.00 1.21 H new ATOM 0 HH11 ARG A 26 8.494 -4.493 -8.729 1.00 2.47 H new ATOM 0 HH12 ARG A 26 9.863 -5.385 -9.400 1.00 2.47 H new ATOM 0 HH21 ARG A 26 10.185 -3.305 -12.230 1.00 2.54 H new ATOM 0 HH22 ARG A 26 10.815 -4.716 -11.372 1.00 2.54 H new ATOM 377 N ARG A 27 10.210 0.733 -6.955 1.00 0.36 N ATOM 378 CA ARG A 27 10.944 1.883 -6.465 1.00 0.44 C ATOM 379 C ARG A 27 12.443 1.707 -6.692 1.00 0.53 C ATOM 380 O ARG A 27 13.219 2.655 -6.576 1.00 0.73 O ATOM 381 CB ARG A 27 10.643 2.059 -4.978 1.00 0.52 C ATOM 382 CG ARG A 27 10.539 3.504 -4.542 1.00 0.55 C ATOM 383 CD ARG A 27 11.885 4.118 -4.220 1.00 0.70 C ATOM 384 NE ARG A 27 12.438 3.559 -2.991 1.00 0.91 N ATOM 385 CZ ARG A 27 13.636 2.999 -2.886 1.00 1.12 C ATOM 386 NH1 ARG A 27 14.429 2.900 -3.948 1.00 1.77 N ATOM 387 NH2 ARG A 27 14.033 2.522 -1.714 1.00 1.63 N ATOM 0 H ARG A 27 10.049 0.013 -6.250 1.00 0.36 H new ATOM 0 HA ARG A 27 10.631 2.773 -7.011 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.708 1.551 -4.744 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.426 1.570 -4.398 1.00 0.52 H new ATOM 0 HG2 ARG A 27 10.060 4.083 -5.331 1.00 0.55 H new ATOM 0 HG3 ARG A 27 9.896 3.569 -3.664 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.575 3.942 -5.045 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.780 5.198 -4.117 1.00 0.70 H new ATOM 0 HE ARG A 27 11.861 3.602 -2.151 1.00 0.91 H new ATOM 0 HH11 ARG A 27 14.118 3.256 -4.852 1.00 1.77 H new ATOM 0 HH12 ARG A 27 15.349 2.468 -3.859 1.00 1.77 H new ATOM 0 HH21 ARG A 27 13.419 2.587 -0.902 1.00 1.63 H new ATOM 0 HH22 ARG A 27 14.953 2.090 -1.624 1.00 1.63 H new ATOM 401 N THR A 28 12.845 0.486 -7.007 1.00 0.45 N ATOM 402 CA THR A 28 14.246 0.187 -7.258 1.00 0.53 C ATOM 403 C THR A 28 14.436 -0.320 -8.677 1.00 0.55 C ATOM 404 O THR A 28 15.448 -0.048 -9.324 1.00 0.67 O ATOM 405 CB THR A 28 14.757 -0.871 -6.269 1.00 0.55 C ATOM 406 OG1 THR A 28 13.842 -1.975 -6.216 1.00 0.55 O ATOM 407 CG2 THR A 28 14.901 -0.277 -4.886 1.00 0.53 C ATOM 0 H THR A 28 12.220 -0.315 -7.095 1.00 0.45 H new ATOM 0 HA THR A 28 14.815 1.107 -7.125 1.00 0.53 H new ATOM 0 HB THR A 28 15.732 -1.219 -6.612 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.126 -1.776 -5.577 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.264 -1.041 -4.198 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.610 0.550 -4.917 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.933 0.088 -4.544 1.00 0.53 H new ATOM 415 N GLY A 29 13.447 -1.062 -9.144 1.00 0.47 N ATOM 416 CA GLY A 29 13.447 -1.560 -10.508 1.00 0.52 C ATOM 417 C GLY A 29 14.327 -2.779 -10.689 1.00 0.58 C ATOM 418 O GLY A 29 13.944 -3.733 -11.367 1.00 0.82 O ATOM 0 H GLY A 29 12.631 -1.334 -8.596 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.426 -1.808 -10.799 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.786 -0.770 -11.178 1.00 0.52 H new ATOM 422 N ASP A 30 15.504 -2.747 -10.089 1.00 0.53 N ATOM 423 CA ASP A 30 16.443 -3.852 -10.192 1.00 0.58 C ATOM 424 C ASP A 30 16.276 -4.789 -9.014 1.00 0.55 C ATOM 425 O ASP A 30 15.835 -5.924 -9.173 1.00 0.84 O ATOM 426 CB ASP A 30 17.884 -3.343 -10.242 1.00 0.67 C ATOM 427 CG ASP A 30 18.877 -4.463 -10.478 1.00 1.31 C ATOM 428 OD1 ASP A 30 19.242 -5.161 -9.507 1.00 2.10 O ATOM 429 OD2 ASP A 30 19.294 -4.655 -11.640 1.00 1.69 O ATOM 0 H ASP A 30 15.834 -1.965 -9.523 1.00 0.53 H new ATOM 0 HA ASP A 30 16.232 -4.389 -11.117 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.979 -2.602 -11.036 1.00 0.67 H new ATOM 0 HB3 ASP A 30 18.123 -2.839 -9.305 1.00 0.67 H new ATOM 434 N SER A 31 16.633 -4.308 -7.832 1.00 0.53 N ATOM 435 CA SER A 31 16.498 -5.084 -6.611 1.00 0.50 C ATOM 436 C SER A 31 16.345 -4.158 -5.410 1.00 0.42 C ATOM 437 O SER A 31 16.919 -3.069 -5.380 1.00 0.48 O ATOM 438 CB SER A 31 17.712 -5.979 -6.397 1.00 0.62 C ATOM 439 OG SER A 31 18.089 -6.660 -7.587 1.00 1.08 O ATOM 0 H SER A 31 17.022 -3.375 -7.694 1.00 0.53 H new ATOM 0 HA SER A 31 15.610 -5.708 -6.710 1.00 0.50 H new ATOM 0 HB2 SER A 31 18.549 -5.376 -6.044 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.492 -6.708 -5.617 1.00 0.62 H new ATOM 0 HG SER A 31 18.699 -6.096 -8.107 1.00 1.08 H new ATOM 445 N THR A 32 15.575 -4.600 -4.428 1.00 0.34 N ATOM 446 CA THR A 32 15.420 -3.867 -3.178 1.00 0.29 C ATOM 447 C THR A 32 16.060 -4.682 -2.052 1.00 0.27 C ATOM 448 O THR A 32 15.627 -4.674 -0.901 1.00 0.28 O ATOM 449 CB THR A 32 13.924 -3.569 -2.890 1.00 0.27 C ATOM 450 OG1 THR A 32 13.760 -2.774 -1.717 1.00 0.27 O ATOM 451 CG2 THR A 32 13.125 -4.849 -2.749 1.00 0.29 C ATOM 0 H THR A 32 15.043 -5.469 -4.472 1.00 0.34 H new ATOM 0 HA THR A 32 15.922 -2.902 -3.251 1.00 0.29 H new ATOM 0 HB THR A 32 13.547 -3.008 -3.745 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.896 -2.978 -1.302 1.00 0.27 H new ATOM 0 HG21 THR A 32 12.082 -4.606 -2.548 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.192 -5.424 -3.673 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.526 -5.439 -1.925 1.00 0.29 H new ATOM 459 N ALA A 33 17.129 -5.375 -2.423 1.00 0.31 N ATOM 460 CA ALA A 33 17.825 -6.295 -1.538 1.00 0.32 C ATOM 461 C ALA A 33 18.774 -5.560 -0.591 1.00 0.34 C ATOM 462 O ALA A 33 19.404 -6.173 0.268 1.00 0.37 O ATOM 463 CB ALA A 33 18.578 -7.327 -2.360 1.00 0.37 C ATOM 0 H ALA A 33 17.539 -5.313 -3.355 1.00 0.31 H new ATOM 0 HA ALA A 33 17.083 -6.800 -0.920 1.00 0.32 H new ATOM 0 HB1 ALA A 33 19.098 -8.014 -1.693 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.874 -7.884 -2.978 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.303 -6.824 -3.000 1.00 0.37 H new ATOM 469 N ASP A 34 18.892 -4.254 -0.772 1.00 0.35 N ATOM 470 CA ASP A 34 19.758 -3.436 0.075 1.00 0.40 C ATOM 471 C ASP A 34 18.969 -2.804 1.213 1.00 0.36 C ATOM 472 O ASP A 34 19.535 -2.408 2.234 1.00 0.43 O ATOM 473 CB ASP A 34 20.444 -2.337 -0.738 1.00 0.49 C ATOM 474 CG ASP A 34 21.560 -2.857 -1.616 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.682 -3.044 -1.106 1.00 1.31 O ATOM 476 OD2 ASP A 34 21.330 -3.065 -2.823 1.00 2.21 O ATOM 0 H ASP A 34 18.400 -3.733 -1.498 1.00 0.35 H new ATOM 0 HA ASP A 34 20.519 -4.096 0.492 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.702 -1.838 -1.361 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.845 -1.586 -0.057 1.00 0.49 H new ATOM 481 N VAL A 35 17.663 -2.704 1.029 1.00 0.31 N ATOM 482 CA VAL A 35 16.785 -2.125 2.033 1.00 0.28 C ATOM 483 C VAL A 35 16.108 -3.234 2.840 1.00 0.25 C ATOM 484 O VAL A 35 15.669 -4.242 2.283 1.00 0.25 O ATOM 485 CB VAL A 35 15.745 -1.160 1.389 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.706 -1.319 -0.125 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.356 -1.359 1.975 1.00 0.26 C ATOM 0 H VAL A 35 17.184 -3.019 0.186 1.00 0.31 H new ATOM 0 HA VAL A 35 17.386 -1.527 2.717 1.00 0.28 H new ATOM 0 HB VAL A 35 16.067 -0.145 1.621 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.971 -0.632 -0.544 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.689 -1.096 -0.540 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.430 -2.343 -0.376 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.659 -0.668 1.501 1.00 0.26 H new ATOM 0 HG22 VAL A 35 14.029 -2.384 1.797 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.383 -1.168 3.048 1.00 0.26 H new ATOM 497 N THR A 36 16.051 -3.055 4.154 1.00 0.25 N ATOM 498 CA THR A 36 15.533 -4.078 5.050 1.00 0.27 C ATOM 499 C THR A 36 14.069 -3.823 5.350 1.00 0.23 C ATOM 500 O THR A 36 13.502 -2.861 4.841 1.00 0.20 O ATOM 501 CB THR A 36 16.312 -4.088 6.376 1.00 0.31 C ATOM 502 OG1 THR A 36 16.265 -2.786 6.974 1.00 0.30 O ATOM 503 CG2 THR A 36 17.755 -4.506 6.157 1.00 0.39 C ATOM 0 H THR A 36 16.360 -2.204 4.624 1.00 0.25 H new ATOM 0 HA THR A 36 15.648 -5.042 4.555 1.00 0.27 H new ATOM 0 HB THR A 36 15.846 -4.813 7.044 1.00 0.31 H new ATOM 0 HG1 THR A 36 17.031 -2.257 6.667 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.283 -4.505 7.111 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.783 -5.508 5.728 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.237 -3.806 5.474 1.00 0.39 H new ATOM 511 N TYR A 37 13.453 -4.652 6.182 1.00 0.26 N ATOM 512 CA TYR A 37 12.074 -4.405 6.572 1.00 0.27 C ATOM 513 C TYR A 37 12.007 -3.110 7.378 1.00 0.23 C ATOM 514 O TYR A 37 11.006 -2.402 7.354 1.00 0.23 O ATOM 515 CB TYR A 37 11.483 -5.590 7.358 1.00 0.38 C ATOM 516 CG TYR A 37 11.760 -5.586 8.848 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.973 -6.032 9.357 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.794 -5.145 9.745 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.216 -6.035 10.719 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.030 -5.144 11.105 1.00 1.53 C ATOM 521 CZ TYR A 37 12.242 -5.589 11.588 1.00 1.12 C ATOM 522 OH TYR A 37 12.481 -5.587 12.943 1.00 1.50 O ATOM 0 H TYR A 37 13.876 -5.484 6.592 1.00 0.26 H new ATOM 0 HA TYR A 37 11.466 -4.299 5.673 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.404 -5.602 7.207 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.874 -6.515 6.936 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.738 -6.382 8.679 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.842 -4.797 9.371 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.164 -6.385 11.100 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.269 -4.796 11.787 1.00 1.53 H new ATOM 0 HH TYR A 37 11.694 -5.242 13.414 1.00 1.50 H new ATOM 532 N GLU A 38 13.109 -2.787 8.052 1.00 0.23 N ATOM 533 CA GLU A 38 13.205 -1.556 8.823 1.00 0.24 C ATOM 534 C GLU A 38 13.309 -0.363 7.889 1.00 0.24 C ATOM 535 O GLU A 38 12.576 0.610 8.035 1.00 0.26 O ATOM 536 CB GLU A 38 14.425 -1.583 9.742 1.00 0.29 C ATOM 537 CG GLU A 38 14.457 -2.758 10.696 1.00 0.35 C ATOM 538 CD GLU A 38 15.644 -2.704 11.632 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.789 -2.870 11.162 1.00 0.96 O ATOM 540 OE2 GLU A 38 15.441 -2.497 12.848 1.00 0.93 O ATOM 0 H GLU A 38 13.949 -3.365 8.078 1.00 0.23 H new ATOM 0 HA GLU A 38 12.306 -1.469 9.433 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.327 -1.602 9.130 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.451 -0.659 10.320 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.537 -2.774 11.280 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.489 -3.686 10.125 1.00 0.35 H new ATOM 547 N ASP A 39 14.216 -0.454 6.917 1.00 0.24 N ATOM 548 CA ASP A 39 14.403 0.624 5.946 1.00 0.26 C ATOM 549 C ASP A 39 13.153 0.782 5.096 1.00 0.22 C ATOM 550 O ASP A 39 12.825 1.876 4.637 1.00 0.23 O ATOM 551 CB ASP A 39 15.603 0.352 5.034 1.00 0.31 C ATOM 552 CG ASP A 39 16.915 0.252 5.780 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.352 1.262 6.371 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.521 -0.841 5.769 1.00 0.82 O ATOM 0 H ASP A 39 14.829 -1.258 6.781 1.00 0.24 H new ATOM 0 HA ASP A 39 14.592 1.542 6.502 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.432 -0.576 4.489 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.675 1.148 4.293 1.00 0.31 H new ATOM 559 N ALA A 40 12.462 -0.330 4.898 1.00 0.19 N ATOM 560 CA ALA A 40 11.218 -0.344 4.144 1.00 0.18 C ATOM 561 C ALA A 40 10.116 0.347 4.927 1.00 0.16 C ATOM 562 O ALA A 40 9.383 1.171 4.385 1.00 0.17 O ATOM 563 CB ALA A 40 10.813 -1.768 3.802 1.00 0.18 C ATOM 0 H ALA A 40 12.746 -1.243 5.253 1.00 0.19 H new ATOM 0 HA ALA A 40 11.376 0.200 3.213 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.880 -1.756 3.238 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.594 -2.234 3.201 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.674 -2.337 4.721 1.00 0.18 H new ATOM 569 N ILE A 41 10.001 0.010 6.209 1.00 0.16 N ATOM 570 CA ILE A 41 9.044 0.678 7.079 1.00 0.18 C ATOM 571 C ILE A 41 9.402 2.145 7.202 1.00 0.20 C ATOM 572 O ILE A 41 8.526 3.008 7.223 1.00 0.21 O ATOM 573 CB ILE A 41 8.973 0.037 8.490 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.364 -1.365 8.413 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.159 0.914 9.437 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.316 -2.090 9.742 1.00 0.30 C ATOM 0 H ILE A 41 10.555 -0.716 6.663 1.00 0.16 H new ATOM 0 HA ILE A 41 8.060 0.566 6.623 1.00 0.18 H new ATOM 0 HB ILE A 41 9.988 -0.045 8.879 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.352 -1.289 8.016 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.940 -1.962 7.706 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.120 0.448 10.422 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.628 1.895 9.518 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.147 1.027 9.049 1.00 0.27 H new ATOM 0 HD11 ILE A 41 7.871 -3.075 9.603 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.327 -2.200 10.133 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.715 -1.517 10.448 1.00 0.30 H new ATOM 588 N LYS A 42 10.696 2.418 7.236 1.00 0.22 N ATOM 589 CA LYS A 42 11.188 3.781 7.301 1.00 0.28 C ATOM 590 C LYS A 42 10.699 4.573 6.098 1.00 0.28 C ATOM 591 O LYS A 42 10.451 5.775 6.188 1.00 0.37 O ATOM 592 CB LYS A 42 12.714 3.790 7.330 1.00 0.31 C ATOM 593 CG LYS A 42 13.311 5.183 7.424 1.00 0.85 C ATOM 594 CD LYS A 42 14.805 5.171 7.163 1.00 1.14 C ATOM 595 CE LYS A 42 15.365 6.581 7.141 1.00 1.46 C ATOM 596 NZ LYS A 42 16.784 6.610 6.705 1.00 2.32 N ATOM 0 H LYS A 42 11.428 1.707 7.219 1.00 0.22 H new ATOM 0 HA LYS A 42 10.809 4.242 8.213 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.057 3.199 8.179 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.089 3.303 6.430 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.821 5.838 6.704 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.118 5.596 8.414 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.308 4.588 7.935 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.007 4.681 6.211 1.00 1.14 H new ATOM 0 HE2 LYS A 42 14.767 7.198 6.470 1.00 1.46 H new ATOM 0 HE3 LYS A 42 15.282 7.019 8.136 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 17.127 7.592 6.704 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 17.360 6.043 7.359 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 16.861 6.216 5.746 1.00 2.32 H new ATOM 610 N GLU A 43 10.542 3.879 4.980 1.00 0.22 N ATOM 611 CA GLU A 43 10.156 4.520 3.737 1.00 0.25 C ATOM 612 C GLU A 43 8.643 4.587 3.631 1.00 0.18 C ATOM 613 O GLU A 43 8.078 5.640 3.327 1.00 0.18 O ATOM 614 CB GLU A 43 10.753 3.783 2.534 1.00 0.33 C ATOM 615 CG GLU A 43 10.204 4.269 1.204 1.00 0.34 C ATOM 616 CD GLU A 43 11.057 3.880 0.014 1.00 0.55 C ATOM 617 OE1 GLU A 43 12.069 3.166 0.192 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.728 4.311 -1.109 1.00 0.94 O ATOM 0 H GLU A 43 10.677 2.870 4.911 1.00 0.22 H new ATOM 0 HA GLU A 43 10.550 5.536 3.735 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.836 3.907 2.540 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.554 2.716 2.634 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.200 3.867 1.067 1.00 0.34 H new ATOM 0 HG3 GLU A 43 10.112 5.355 1.234 1.00 0.34 H new ATOM 625 N LEU A 44 7.986 3.467 3.917 1.00 0.16 N ATOM 626 CA LEU A 44 6.535 3.405 3.836 1.00 0.15 C ATOM 627 C LEU A 44 5.919 4.418 4.795 1.00 0.14 C ATOM 628 O LEU A 44 4.918 5.056 4.481 1.00 0.16 O ATOM 629 CB LEU A 44 6.006 2.003 4.162 1.00 0.13 C ATOM 630 CG LEU A 44 4.508 1.815 3.893 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.210 1.986 2.415 1.00 0.17 C ATOM 632 CD2 LEU A 44 4.037 0.453 4.361 1.00 0.14 C ATOM 0 H LEU A 44 8.434 2.597 4.205 1.00 0.16 H new ATOM 0 HA LEU A 44 6.251 3.642 2.811 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.563 1.272 3.576 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.204 1.788 5.212 1.00 0.13 H new ATOM 0 HG LEU A 44 3.969 2.577 4.455 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.143 1.849 2.241 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.504 2.986 2.098 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.769 1.245 1.843 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.971 0.347 4.158 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.587 -0.324 3.830 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.214 0.355 5.432 1.00 0.14 H new ATOM 644 N GLN A 45 6.545 4.572 5.961 1.00 0.14 N ATOM 645 CA GLN A 45 6.069 5.505 6.979 1.00 0.14 C ATOM 646 C GLN A 45 6.221 6.956 6.543 1.00 0.17 C ATOM 647 O GLN A 45 5.542 7.831 7.068 1.00 0.27 O ATOM 648 CB GLN A 45 6.800 5.278 8.301 1.00 0.16 C ATOM 649 CG GLN A 45 5.947 4.587 9.351 1.00 0.22 C ATOM 650 CD GLN A 45 4.905 5.513 9.949 1.00 0.36 C ATOM 651 OE1 GLN A 45 3.719 5.528 9.363 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.161 6.205 10.933 1.00 0.44 N flip ATOM 0 H GLN A 45 7.387 4.060 6.224 1.00 0.14 H new ATOM 0 HA GLN A 45 5.006 5.310 7.118 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.692 4.679 8.116 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.136 6.239 8.691 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.450 3.726 8.903 1.00 0.22 H new ATOM 0 HG3 GLN A 45 6.590 4.207 10.145 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.088 6.166 11.357 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.446 6.818 11.325 1.00 0.44 H new ATOM 661 N LYS A 46 7.104 7.217 5.589 1.00 0.14 N ATOM 662 CA LYS A 46 7.285 8.574 5.089 1.00 0.17 C ATOM 663 C LYS A 46 6.225 8.897 4.045 1.00 0.18 C ATOM 664 O LYS A 46 5.627 9.969 4.068 1.00 0.21 O ATOM 665 CB LYS A 46 8.684 8.763 4.498 1.00 0.22 C ATOM 666 CG LYS A 46 9.800 8.701 5.527 1.00 0.27 C ATOM 667 CD LYS A 46 11.168 8.816 4.871 1.00 0.39 C ATOM 668 CE LYS A 46 12.294 8.716 5.891 1.00 0.49 C ATOM 669 NZ LYS A 46 12.323 9.875 6.823 1.00 1.31 N ATOM 0 H LYS A 46 7.701 6.516 5.149 1.00 0.14 H new ATOM 0 HA LYS A 46 7.177 9.260 5.929 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.856 7.995 3.743 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.726 9.726 3.989 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.674 9.505 6.252 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.737 7.763 6.078 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.281 8.028 4.126 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.239 9.767 4.343 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.180 7.796 6.464 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.248 8.650 5.369 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 13.165 9.811 7.430 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 12.356 10.759 6.276 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.468 9.866 7.415 1.00 1.31 H new ATOM 683 N TRP A 47 5.989 7.967 3.132 1.00 0.16 N ATOM 684 CA TRP A 47 4.953 8.149 2.128 1.00 0.19 C ATOM 685 C TRP A 47 3.573 8.131 2.772 1.00 0.19 C ATOM 686 O TRP A 47 2.746 8.989 2.486 1.00 0.22 O ATOM 687 CB TRP A 47 5.082 7.088 1.037 1.00 0.20 C ATOM 688 CG TRP A 47 6.433 7.123 0.397 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.328 6.098 0.293 1.00 0.18 C ATOM 690 CD2 TRP A 47 7.065 8.268 -0.187 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.471 6.534 -0.329 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.334 7.863 -0.629 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.676 9.596 -0.384 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.218 8.739 -1.247 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.555 10.463 -1.000 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.814 10.032 -1.425 1.00 0.52 C ATOM 0 H TRP A 47 6.497 7.085 3.066 1.00 0.16 H new ATOM 0 HA TRP A 47 5.081 9.125 1.660 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.906 6.101 1.465 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.315 7.248 0.279 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.161 5.092 0.648 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.290 5.961 -0.534 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.704 9.938 -0.060 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.192 8.409 -1.576 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 7.265 11.492 -1.156 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.481 10.734 -1.903 1.00 0.52 H new ATOM 707 N SER A 48 3.351 7.184 3.675 1.00 0.17 N ATOM 708 CA SER A 48 2.114 7.117 4.440 1.00 0.19 C ATOM 709 C SER A 48 1.950 8.385 5.274 1.00 0.20 C ATOM 710 O SER A 48 0.832 8.797 5.587 1.00 0.28 O ATOM 711 CB SER A 48 2.131 5.872 5.339 1.00 0.23 C ATOM 712 OG SER A 48 0.910 5.699 6.039 1.00 0.82 O ATOM 0 H SER A 48 4.019 6.446 3.896 1.00 0.17 H new ATOM 0 HA SER A 48 1.267 7.043 3.758 1.00 0.19 H new ATOM 0 HB2 SER A 48 2.327 4.989 4.730 1.00 0.23 H new ATOM 0 HB3 SER A 48 2.949 5.954 6.054 1.00 0.23 H new ATOM 0 HG SER A 48 1.016 4.995 6.712 1.00 0.82 H new ATOM 718 N GLN A 49 3.074 9.010 5.619 1.00 0.17 N ATOM 719 CA GLN A 49 3.056 10.275 6.323 1.00 0.17 C ATOM 720 C GLN A 49 2.629 11.385 5.378 1.00 0.18 C ATOM 721 O GLN A 49 1.660 12.083 5.631 1.00 0.21 O ATOM 722 CB GLN A 49 4.437 10.607 6.863 1.00 0.19 C ATOM 723 CG GLN A 49 4.436 11.840 7.735 1.00 0.23 C ATOM 724 CD GLN A 49 5.744 12.582 7.654 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.659 12.364 8.448 1.00 0.53 O ATOM 726 NE2 GLN A 49 5.843 13.458 6.672 1.00 0.45 N ATOM 0 H GLN A 49 4.008 8.653 5.418 1.00 0.17 H new ATOM 0 HA GLN A 49 2.352 10.192 7.151 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.812 9.760 7.437 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.123 10.756 6.029 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.624 12.500 7.430 1.00 0.23 H new ATOM 0 HG3 GLN A 49 4.244 11.554 8.769 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.057 13.605 6.038 1.00 0.45 H new ATOM 0 HE22 GLN A 49 6.705 13.988 6.547 1.00 0.45 H new ATOM 735 N ARG A 50 3.363 11.524 4.278 1.00 0.16 N ATOM 736 CA ARG A 50 3.130 12.595 3.314 1.00 0.16 C ATOM 737 C ARG A 50 1.728 12.535 2.728 1.00 0.14 C ATOM 738 O ARG A 50 1.079 13.565 2.546 1.00 0.15 O ATOM 739 CB ARG A 50 4.146 12.529 2.183 1.00 0.15 C ATOM 740 CG ARG A 50 5.573 12.802 2.605 1.00 0.19 C ATOM 741 CD ARG A 50 6.496 12.723 1.409 1.00 0.20 C ATOM 742 NE ARG A 50 7.873 13.058 1.747 1.00 0.27 N ATOM 743 CZ ARG A 50 8.763 13.505 0.865 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.397 13.734 -0.392 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.012 13.737 1.240 1.00 0.42 N ATOM 0 H ARG A 50 4.132 10.901 4.030 1.00 0.16 H new ATOM 0 HA ARG A 50 3.239 13.536 3.853 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.098 11.541 1.726 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.863 13.249 1.415 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.642 13.789 3.062 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.881 12.079 3.360 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.462 11.716 0.993 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.140 13.401 0.633 1.00 0.20 H new ATOM 0 HE ARG A 50 8.172 12.943 2.715 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.433 13.567 -0.681 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.080 14.077 -1.068 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.293 13.573 2.207 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.693 14.080 0.562 1.00 0.42 H new ATOM 759 N ILE A 51 1.278 11.330 2.410 1.00 0.13 N ATOM 760 CA ILE A 51 -0.073 11.120 1.905 1.00 0.13 C ATOM 761 C ILE A 51 -1.100 11.613 2.926 1.00 0.16 C ATOM 762 O ILE A 51 -2.149 12.153 2.565 1.00 0.20 O ATOM 763 CB ILE A 51 -0.316 9.624 1.586 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.607 9.169 0.452 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.768 9.379 1.212 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.571 7.676 0.199 1.00 0.13 C ATOM 0 H ILE A 51 1.832 10.477 2.493 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.186 11.690 0.983 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.091 9.043 2.480 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.327 9.690 -0.463 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.630 9.464 0.687 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.914 8.321 0.992 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.412 9.669 2.042 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.022 9.971 0.332 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.250 7.429 -0.617 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.880 7.147 1.100 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.442 7.377 -0.068 1.00 0.13 H new ATOM 778 N ALA A 52 -0.767 11.446 4.199 1.00 0.16 N ATOM 779 CA ALA A 52 -1.635 11.863 5.286 1.00 0.20 C ATOM 780 C ALA A 52 -1.490 13.358 5.591 1.00 0.22 C ATOM 781 O ALA A 52 -2.478 14.034 5.888 1.00 0.27 O ATOM 782 CB ALA A 52 -1.325 11.034 6.523 1.00 0.21 C ATOM 0 H ALA A 52 0.108 11.020 4.504 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.669 11.698 4.982 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -1.975 11.344 7.341 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.494 9.979 6.306 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.284 11.183 6.810 1.00 0.21 H new ATOM 788 N SER A 53 -0.264 13.866 5.508 1.00 0.22 N ATOM 789 CA SER A 53 0.026 15.255 5.856 1.00 0.26 C ATOM 790 C SER A 53 -0.370 16.220 4.738 1.00 0.28 C ATOM 791 O SER A 53 -0.718 17.374 4.994 1.00 0.35 O ATOM 792 CB SER A 53 1.517 15.408 6.180 1.00 0.28 C ATOM 793 OG SER A 53 2.326 14.919 5.116 1.00 0.26 O ATOM 0 H SER A 53 0.550 13.333 5.201 1.00 0.22 H new ATOM 0 HA SER A 53 -0.569 15.509 6.733 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.747 16.458 6.363 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.750 14.867 7.097 1.00 0.28 H new ATOM 0 HG SER A 53 3.252 15.210 5.249 1.00 0.26 H new ATOM 799 N GLY A 54 -0.319 15.747 3.501 1.00 0.25 N ATOM 800 CA GLY A 54 -0.682 16.586 2.376 1.00 0.28 C ATOM 801 C GLY A 54 0.519 17.017 1.557 1.00 0.26 C ATOM 802 O GLY A 54 0.420 17.923 0.728 1.00 0.30 O ATOM 0 H GLY A 54 -0.033 14.799 3.256 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.379 16.046 1.735 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.204 17.470 2.741 1.00 0.28 H new ATOM 806 N GLU A 55 1.657 16.378 1.795 1.00 0.23 N ATOM 807 CA GLU A 55 2.868 16.667 1.033 1.00 0.23 C ATOM 808 C GLU A 55 2.761 16.080 -0.370 1.00 0.20 C ATOM 809 O GLU A 55 3.080 16.741 -1.356 1.00 0.24 O ATOM 810 CB GLU A 55 4.093 16.121 1.765 1.00 0.24 C ATOM 811 CG GLU A 55 4.350 16.813 3.094 1.00 0.42 C ATOM 812 CD GLU A 55 5.376 16.097 3.942 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.588 16.286 3.712 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.970 15.341 4.851 1.00 0.65 O ATOM 0 H GLU A 55 1.768 15.657 2.508 1.00 0.23 H new ATOM 0 HA GLU A 55 2.981 17.747 0.940 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.960 15.053 1.938 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.970 16.234 1.128 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.688 17.832 2.908 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.414 16.884 3.648 1.00 0.42 H new ATOM 821 N VAL A 56 2.295 14.842 -0.450 1.00 0.17 N ATOM 822 CA VAL A 56 1.996 14.207 -1.729 1.00 0.15 C ATOM 823 C VAL A 56 0.705 13.424 -1.611 1.00 0.15 C ATOM 824 O VAL A 56 0.286 13.073 -0.508 1.00 0.19 O ATOM 825 CB VAL A 56 3.111 13.247 -2.214 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.345 14.017 -2.648 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.472 12.233 -1.143 1.00 0.15 C ATOM 0 H VAL A 56 2.114 14.252 0.362 1.00 0.17 H new ATOM 0 HA VAL A 56 1.913 15.009 -2.463 1.00 0.15 H new ATOM 0 HB VAL A 56 2.721 12.706 -3.076 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.111 13.318 -2.983 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.085 14.690 -3.465 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.726 14.597 -1.808 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.257 11.575 -1.515 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.827 12.754 -0.254 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.592 11.642 -0.890 1.00 0.15 H new ATOM 837 N SER A 57 0.065 13.163 -2.735 1.00 0.13 N ATOM 838 CA SER A 57 -1.131 12.350 -2.738 1.00 0.15 C ATOM 839 C SER A 57 -0.750 10.879 -2.785 1.00 0.15 C ATOM 840 O SER A 57 0.404 10.547 -3.080 1.00 0.18 O ATOM 841 CB SER A 57 -2.023 12.712 -3.926 1.00 0.22 C ATOM 842 OG SER A 57 -1.309 12.608 -5.145 1.00 0.97 O ATOM 0 H SER A 57 0.353 13.502 -3.653 1.00 0.13 H new ATOM 0 HA SER A 57 -1.692 12.541 -1.823 1.00 0.15 H new ATOM 0 HB2 SER A 57 -2.889 12.051 -3.950 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.400 13.728 -3.806 1.00 0.22 H new ATOM 0 HG SER A 57 -1.900 12.842 -5.891 1.00 0.97 H new ATOM 848 N PHE A 58 -1.696 10.007 -2.487 1.00 0.16 N ATOM 849 CA PHE A 58 -1.448 8.577 -2.542 1.00 0.16 C ATOM 850 C PHE A 58 -0.996 8.200 -3.947 1.00 0.18 C ATOM 851 O PHE A 58 -0.062 7.421 -4.129 1.00 0.19 O ATOM 852 CB PHE A 58 -2.716 7.811 -2.165 1.00 0.18 C ATOM 853 CG PHE A 58 -2.457 6.454 -1.578 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.887 5.451 -2.339 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.789 6.184 -0.260 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.650 4.206 -1.798 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.556 4.940 0.287 1.00 0.21 C ATOM 858 CZ PHE A 58 -1.985 3.950 -0.484 1.00 0.22 C ATOM 0 H PHE A 58 -2.642 10.263 -2.205 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.664 8.314 -1.831 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.286 8.403 -1.449 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.338 7.699 -3.053 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.625 5.645 -3.369 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.236 6.958 0.346 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.202 3.431 -2.402 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.820 4.742 1.315 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.800 2.974 -0.060 1.00 0.22 H new ATOM 868 N GLU A 59 -1.652 8.807 -4.926 1.00 0.20 N ATOM 869 CA GLU A 59 -1.366 8.581 -6.333 1.00 0.22 C ATOM 870 C GLU A 59 0.097 8.871 -6.657 1.00 0.24 C ATOM 871 O GLU A 59 0.794 8.019 -7.213 1.00 0.31 O ATOM 872 CB GLU A 59 -2.274 9.463 -7.203 1.00 0.27 C ATOM 873 CG GLU A 59 -3.769 9.254 -6.973 1.00 0.36 C ATOM 874 CD GLU A 59 -4.288 9.893 -5.694 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.702 11.067 -5.738 1.00 0.96 O ATOM 876 OE2 GLU A 59 -4.305 9.218 -4.641 1.00 1.72 O ATOM 0 H GLU A 59 -2.404 9.476 -4.763 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.561 7.531 -6.549 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.033 10.509 -7.013 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -2.050 9.269 -8.252 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -4.318 9.663 -7.821 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.977 8.184 -6.944 1.00 0.36 H new ATOM 883 N GLU A 60 0.559 10.068 -6.291 1.00 0.23 N ATOM 884 CA GLU A 60 1.935 10.480 -6.564 1.00 0.24 C ATOM 885 C GLU A 60 2.932 9.495 -5.969 1.00 0.23 C ATOM 886 O GLU A 60 3.892 9.093 -6.624 1.00 0.26 O ATOM 887 CB GLU A 60 2.204 11.878 -6.005 1.00 0.25 C ATOM 888 CG GLU A 60 1.393 12.972 -6.678 1.00 0.29 C ATOM 889 CD GLU A 60 1.765 13.159 -8.134 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.810 13.786 -8.405 1.00 1.24 O ATOM 891 OE2 GLU A 60 1.017 12.684 -9.014 1.00 2.09 O ATOM 0 H GLU A 60 -0.001 10.769 -5.805 1.00 0.23 H new ATOM 0 HA GLU A 60 2.062 10.497 -7.646 1.00 0.24 H new ATOM 0 HB2 GLU A 60 1.985 11.881 -4.937 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.264 12.105 -6.114 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.333 12.730 -6.606 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.543 13.911 -6.145 1.00 0.29 H new ATOM 898 N ALA A 61 2.695 9.102 -4.728 1.00 0.22 N ATOM 899 CA ALA A 61 3.583 8.176 -4.049 1.00 0.23 C ATOM 900 C ALA A 61 3.518 6.788 -4.681 1.00 0.22 C ATOM 901 O ALA A 61 4.544 6.204 -5.020 1.00 0.26 O ATOM 902 CB ALA A 61 3.242 8.106 -2.571 1.00 0.24 C ATOM 0 H ALA A 61 1.897 9.410 -4.172 1.00 0.22 H new ATOM 0 HA ALA A 61 4.603 8.545 -4.155 1.00 0.23 H new ATOM 0 HB1 ALA A 61 3.916 7.408 -2.075 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.351 9.095 -2.125 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.214 7.765 -2.451 1.00 0.24 H new ATOM 908 N ALA A 62 2.305 6.282 -4.863 1.00 0.20 N ATOM 909 CA ALA A 62 2.095 4.921 -5.346 1.00 0.20 C ATOM 910 C ALA A 62 2.728 4.690 -6.717 1.00 0.21 C ATOM 911 O ALA A 62 3.525 3.770 -6.882 1.00 0.24 O ATOM 912 CB ALA A 62 0.609 4.608 -5.394 1.00 0.20 C ATOM 0 H ALA A 62 1.444 6.798 -4.682 1.00 0.20 H new ATOM 0 HA ALA A 62 2.587 4.247 -4.645 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.463 3.590 -5.756 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.185 4.702 -4.394 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.112 5.307 -6.066 1.00 0.20 H new ATOM 918 N SER A 63 2.390 5.538 -7.680 1.00 0.21 N ATOM 919 CA SER A 63 2.859 5.396 -9.058 1.00 0.23 C ATOM 920 C SER A 63 4.379 5.239 -9.169 1.00 0.24 C ATOM 921 O SER A 63 4.877 4.670 -10.139 1.00 0.27 O ATOM 922 CB SER A 63 2.396 6.595 -9.883 1.00 0.26 C ATOM 923 OG SER A 63 0.981 6.614 -9.986 1.00 1.00 O ATOM 0 H SER A 63 1.783 6.344 -7.531 1.00 0.21 H new ATOM 0 HA SER A 63 2.424 4.475 -9.447 1.00 0.23 H new ATOM 0 HB2 SER A 63 2.745 7.518 -9.420 1.00 0.26 H new ATOM 0 HB3 SER A 63 2.838 6.551 -10.878 1.00 0.26 H new ATOM 0 HG SER A 63 0.671 5.774 -10.383 1.00 1.00 H new ATOM 929 N GLN A 64 5.111 5.727 -8.183 1.00 0.24 N ATOM 930 CA GLN A 64 6.560 5.632 -8.212 1.00 0.27 C ATOM 931 C GLN A 64 7.040 4.554 -7.258 1.00 0.26 C ATOM 932 O GLN A 64 7.863 3.708 -7.604 1.00 0.29 O ATOM 933 CB GLN A 64 7.173 6.967 -7.802 1.00 0.31 C ATOM 934 CG GLN A 64 6.561 8.150 -8.517 1.00 0.35 C ATOM 935 CD GLN A 64 7.096 9.478 -8.021 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.097 9.987 -8.521 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.420 10.051 -7.043 1.00 0.35 N ATOM 0 H GLN A 64 4.730 6.190 -7.358 1.00 0.24 H new ATOM 0 HA GLN A 64 6.869 5.377 -9.226 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.053 7.099 -6.727 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.244 6.944 -8.003 1.00 0.31 H new ATOM 0 HG2 GLN A 64 6.755 8.062 -9.586 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.479 8.128 -8.386 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.594 9.593 -6.657 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.723 10.952 -6.673 1.00 0.35 H new ATOM 946 N ARG A 65 6.513 4.604 -6.050 1.00 0.26 N ATOM 947 CA ARG A 65 7.028 3.804 -4.952 1.00 0.28 C ATOM 948 C ARG A 65 6.406 2.407 -4.872 1.00 0.27 C ATOM 949 O ARG A 65 7.111 1.434 -4.606 1.00 0.32 O ATOM 950 CB ARG A 65 6.806 4.556 -3.642 1.00 0.33 C ATOM 951 CG ARG A 65 7.331 5.989 -3.671 1.00 0.37 C ATOM 952 CD ARG A 65 8.777 6.048 -4.147 1.00 0.43 C ATOM 953 NE ARG A 65 9.382 7.365 -3.969 1.00 0.58 N ATOM 954 CZ ARG A 65 10.039 8.039 -4.916 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.196 7.528 -6.131 1.00 0.59 N ATOM 956 NH2 ARG A 65 10.558 9.228 -4.636 1.00 0.86 N ATOM 0 H ARG A 65 5.721 5.196 -5.801 1.00 0.26 H new ATOM 0 HA ARG A 65 8.092 3.650 -5.133 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.740 4.572 -3.417 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.295 4.014 -2.833 1.00 0.33 H new ATOM 0 HG2 ARG A 65 6.706 6.593 -4.329 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.258 6.424 -2.674 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.364 5.308 -3.603 1.00 0.43 H new ATOM 0 HD3 ARG A 65 8.818 5.775 -5.201 1.00 0.43 H new ATOM 0 HE ARG A 65 9.296 7.803 -3.052 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.812 6.609 -6.351 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.700 8.054 -6.844 1.00 0.59 H new ATOM 0 HH21 ARG A 65 10.454 9.623 -3.701 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.061 9.747 -5.356 1.00 0.86 H new ATOM 970 N SER A 66 5.099 2.305 -5.084 1.00 0.25 N ATOM 971 CA SER A 66 4.406 1.021 -4.932 1.00 0.25 C ATOM 972 C SER A 66 4.890 0.004 -5.963 1.00 0.23 C ATOM 973 O SER A 66 4.880 0.265 -7.164 1.00 0.24 O ATOM 974 CB SER A 66 2.880 1.185 -5.034 1.00 0.24 C ATOM 975 OG SER A 66 2.456 1.441 -6.360 1.00 0.82 O ATOM 0 H SER A 66 4.499 3.083 -5.359 1.00 0.25 H new ATOM 0 HA SER A 66 4.645 0.649 -3.936 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.394 0.281 -4.667 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.560 2.003 -4.388 1.00 0.24 H new ATOM 0 HG SER A 66 2.885 2.258 -6.689 1.00 0.82 H new ATOM 981 N ASP A 67 5.326 -1.151 -5.472 1.00 0.25 N ATOM 982 CA ASP A 67 5.775 -2.244 -6.329 1.00 0.28 C ATOM 983 C ASP A 67 4.597 -2.967 -6.968 1.00 0.31 C ATOM 984 O ASP A 67 4.748 -3.676 -7.962 1.00 0.48 O ATOM 985 CB ASP A 67 6.619 -3.234 -5.526 1.00 0.39 C ATOM 986 CG ASP A 67 6.993 -4.454 -6.338 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.866 -4.341 -7.214 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.407 -5.529 -6.108 1.00 2.28 O ATOM 0 H ASP A 67 5.378 -1.356 -4.474 1.00 0.25 H new ATOM 0 HA ASP A 67 6.383 -1.815 -7.125 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.526 -2.738 -5.179 1.00 0.39 H new ATOM 0 HB3 ASP A 67 6.066 -3.545 -4.639 1.00 0.39 H new ATOM 993 N CYS A 68 3.421 -2.772 -6.405 1.00 0.24 N ATOM 994 CA CYS A 68 2.233 -3.432 -6.906 1.00 0.26 C ATOM 995 C CYS A 68 1.738 -2.738 -8.165 1.00 0.27 C ATOM 996 O CYS A 68 2.020 -1.563 -8.401 1.00 0.38 O ATOM 997 CB CYS A 68 1.144 -3.434 -5.838 1.00 0.29 C ATOM 998 SG CYS A 68 -0.316 -4.406 -6.257 1.00 1.52 S ATOM 0 H CYS A 68 3.263 -2.163 -5.602 1.00 0.24 H new ATOM 0 HA CYS A 68 2.482 -4.464 -7.153 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.565 -3.818 -4.909 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.837 -2.405 -5.648 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.603 -5.205 -5.272 1.00 1.52 H new ATOM 1004 N GLY A 69 0.981 -3.497 -8.951 1.00 0.26 N ATOM 1005 CA GLY A 69 0.579 -3.085 -10.290 1.00 0.25 C ATOM 1006 C GLY A 69 -0.171 -1.768 -10.338 1.00 0.22 C ATOM 1007 O GLY A 69 -0.267 -1.146 -11.399 1.00 0.25 O ATOM 0 H GLY A 69 0.629 -4.415 -8.677 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.468 -3.007 -10.916 1.00 0.25 H new ATOM 0 HA3 GLY A 69 -0.049 -3.863 -10.724 1.00 0.25 H new ATOM 1011 N SER A 70 -0.690 -1.333 -9.199 1.00 0.21 N ATOM 1012 CA SER A 70 -1.425 -0.084 -9.121 1.00 0.24 C ATOM 1013 C SER A 70 -0.508 1.133 -9.313 1.00 0.22 C ATOM 1014 O SER A 70 -0.994 2.262 -9.390 1.00 0.25 O ATOM 1015 CB SER A 70 -2.171 -0.011 -7.785 1.00 0.31 C ATOM 1016 OG SER A 70 -1.286 -0.198 -6.691 1.00 0.32 O ATOM 0 H SER A 70 -0.614 -1.832 -8.313 1.00 0.21 H new ATOM 0 HA SER A 70 -2.149 -0.060 -9.935 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.666 0.956 -7.694 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.951 -0.772 -7.759 1.00 0.31 H new ATOM 0 HG SER A 70 -1.751 0.012 -5.854 1.00 0.32 H new ATOM 1022 N TYR A 71 0.811 0.909 -9.404 1.00 0.20 N ATOM 1023 CA TYR A 71 1.756 1.993 -9.695 1.00 0.20 C ATOM 1024 C TYR A 71 1.366 2.691 -11.002 1.00 0.22 C ATOM 1025 O TYR A 71 1.522 3.897 -11.144 1.00 0.29 O ATOM 1026 CB TYR A 71 3.212 1.472 -9.801 1.00 0.21 C ATOM 1027 CG TYR A 71 3.492 0.630 -11.031 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.156 -0.715 -11.070 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.095 1.186 -12.154 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.408 -1.484 -12.190 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.351 0.425 -13.277 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.005 -0.908 -13.290 1.00 0.43 C ATOM 1033 OH TYR A 71 4.256 -1.671 -14.410 1.00 0.54 O ATOM 0 H TYR A 71 1.244 -0.006 -9.281 1.00 0.20 H new ATOM 0 HA TYR A 71 1.709 2.701 -8.868 1.00 0.20 H new ATOM 0 HB2 TYR A 71 3.891 2.325 -9.798 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.439 0.882 -8.913 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.689 -1.170 -10.209 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.368 2.231 -12.147 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.139 -2.530 -12.203 1.00 0.36 H new ATOM 0 HE2 TYR A 71 4.820 0.873 -14.141 1.00 0.44 H new ATOM 0 HH TYR A 71 4.679 -1.115 -15.097 1.00 0.54 H new ATOM 1043 N ALA A 72 0.823 1.932 -11.944 1.00 0.24 N ATOM 1044 CA ALA A 72 0.472 2.481 -13.246 1.00 0.30 C ATOM 1045 C ALA A 72 -0.988 2.910 -13.279 1.00 0.36 C ATOM 1046 O ALA A 72 -1.507 3.322 -14.317 1.00 0.49 O ATOM 1047 CB ALA A 72 0.753 1.460 -14.335 1.00 0.38 C ATOM 0 H ALA A 72 0.617 0.939 -11.832 1.00 0.24 H new ATOM 0 HA ALA A 72 1.085 3.364 -13.425 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.487 1.880 -15.305 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.812 1.203 -14.329 1.00 0.38 H new ATOM 0 HB3 ALA A 72 0.161 0.563 -14.154 1.00 0.38 H new ATOM 1053 N SER A 73 -1.646 2.814 -12.137 1.00 0.32 N ATOM 1054 CA SER A 73 -3.059 3.138 -12.040 1.00 0.44 C ATOM 1055 C SER A 73 -3.278 4.360 -11.151 1.00 0.49 C ATOM 1056 O SER A 73 -4.343 4.978 -11.174 1.00 0.71 O ATOM 1057 CB SER A 73 -3.813 1.935 -11.477 1.00 0.47 C ATOM 1058 OG SER A 73 -3.342 0.730 -12.060 1.00 0.62 O ATOM 0 H SER A 73 -1.222 2.513 -11.260 1.00 0.32 H new ATOM 0 HA SER A 73 -3.436 3.375 -13.035 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.687 1.895 -10.395 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.880 2.045 -11.670 1.00 0.47 H new ATOM 0 HG SER A 73 -3.836 -0.029 -11.686 1.00 0.62 H new ATOM 1064 N GLY A 74 -2.258 4.708 -10.376 1.00 0.41 N ATOM 1065 CA GLY A 74 -2.377 5.808 -9.440 1.00 0.54 C ATOM 1066 C GLY A 74 -2.593 5.316 -8.025 1.00 0.45 C ATOM 1067 O GLY A 74 -3.082 6.047 -7.165 1.00 0.49 O ATOM 0 H GLY A 74 -1.349 4.246 -10.380 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -1.475 6.419 -9.479 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -3.209 6.448 -9.734 1.00 0.54 H new ATOM 1071 N GLY A 75 -2.245 4.058 -7.788 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.378 3.479 -6.467 1.00 0.32 C ATOM 1073 C GLY A 75 -3.759 2.919 -6.213 1.00 0.20 C ATOM 1074 O GLY A 75 -3.921 1.971 -5.437 1.00 0.21 O ATOM 0 H GLY A 75 -1.870 3.424 -8.494 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.641 2.685 -6.346 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.155 4.238 -5.718 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.753 3.485 -6.878 1.00 0.35 N ATOM 1079 CA ASP A 76 -6.135 3.106 -6.646 1.00 0.39 C ATOM 1080 C ASP A 76 -6.528 1.919 -7.491 1.00 0.32 C ATOM 1081 O ASP A 76 -6.125 1.784 -8.648 1.00 0.36 O ATOM 1082 CB ASP A 76 -7.099 4.265 -6.903 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.082 4.756 -8.333 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -6.147 5.492 -8.705 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.025 4.430 -9.088 1.00 0.80 O ATOM 0 H ASP A 76 -4.627 4.210 -7.584 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.208 2.831 -5.594 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -8.111 3.950 -6.647 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.846 5.092 -6.240 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.302 1.052 -6.882 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.829 -0.113 -7.546 1.00 0.30 C ATOM 1092 C LEU A 77 -9.279 0.120 -7.920 1.00 0.32 C ATOM 1093 O LEU A 77 -9.851 1.163 -7.597 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.690 -1.332 -6.637 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.559 -2.297 -7.004 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.284 -1.539 -7.364 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.301 -3.260 -5.853 1.00 0.94 C ATOM 0 H LEU A 77 -7.585 1.137 -5.906 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.264 -0.298 -8.460 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.533 -0.987 -5.615 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.631 -1.881 -6.647 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.866 -2.867 -7.881 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.498 -2.250 -7.620 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.476 -0.888 -8.217 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.966 -0.937 -6.513 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.495 -3.942 -6.123 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -6.017 -2.697 -4.964 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.206 -3.831 -5.647 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.855 -0.834 -8.614 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.246 -0.742 -8.985 1.00 0.39 C ATOM 1111 C GLY A 78 -12.143 -1.279 -7.897 1.00 0.34 C ATOM 1112 O GLY A 78 -11.752 -1.326 -6.727 1.00 0.44 O ATOM 0 H GLY A 78 -9.383 -1.680 -8.932 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.502 0.298 -9.189 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.416 -1.299 -9.907 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.338 -1.691 -8.271 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.277 -2.239 -7.311 1.00 0.46 C ATOM 1118 C PHE A 79 -14.023 -3.725 -7.105 1.00 0.45 C ATOM 1119 O PHE A 79 -13.783 -4.467 -8.060 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.717 -1.993 -7.764 1.00 0.61 C ATOM 1121 CG PHE A 79 -16.069 -0.533 -7.839 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -16.456 0.158 -6.702 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -16.006 0.148 -9.044 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -16.775 1.501 -6.766 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -16.323 1.490 -9.114 1.00 2.78 C ATOM 1126 CZ PHE A 79 -16.708 2.168 -7.974 1.00 3.85 C ATOM 0 H PHE A 79 -13.682 -1.657 -9.231 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.130 -1.731 -6.358 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.866 -2.448 -8.743 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.399 -2.490 -7.074 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.509 -0.359 -5.755 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.705 -0.377 -9.939 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -17.076 2.028 -5.873 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -16.270 2.009 -10.060 1.00 2.78 H new ATOM 0 HZ PHE A 79 -16.956 3.218 -8.027 1.00 3.85 H new ATOM 1136 N PHE A 80 -14.067 -4.145 -5.852 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.838 -5.532 -5.487 1.00 0.45 C ATOM 1138 C PHE A 80 -14.841 -5.941 -4.435 1.00 0.46 C ATOM 1139 O PHE A 80 -15.506 -5.093 -3.846 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.417 -5.741 -4.941 1.00 0.45 C ATOM 1141 CG PHE A 80 -12.138 -5.082 -3.609 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -12.021 -3.704 -3.501 1.00 1.01 C ATOM 1143 CD2 PHE A 80 -11.983 -5.850 -2.465 1.00 0.89 C ATOM 1144 CE1 PHE A 80 -11.754 -3.109 -2.279 1.00 1.28 C ATOM 1145 CE2 PHE A 80 -11.719 -5.259 -1.244 1.00 1.19 C ATOM 1146 CZ PHE A 80 -11.603 -3.888 -1.153 1.00 1.31 C ATOM 0 H PHE A 80 -14.263 -3.534 -5.059 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.953 -6.144 -6.381 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -12.236 -6.811 -4.844 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.704 -5.362 -5.673 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.139 -3.088 -4.380 1.00 1.01 H new ATOM 0 HD2 PHE A 80 -12.070 -6.925 -2.529 1.00 0.89 H new ATOM 0 HE1 PHE A 80 -11.664 -2.035 -2.209 1.00 1.28 H new ATOM 0 HE2 PHE A 80 -11.604 -5.871 -0.361 1.00 1.19 H new ATOM 0 HZ PHE A 80 -11.394 -3.425 -0.200 1.00 1.31 H new ATOM 1156 N SER A 81 -14.949 -7.226 -4.201 1.00 0.50 N ATOM 1157 CA SER A 81 -15.829 -7.727 -3.164 1.00 0.55 C ATOM 1158 C SER A 81 -15.053 -7.815 -1.858 1.00 0.52 C ATOM 1159 O SER A 81 -13.926 -8.290 -1.839 1.00 0.54 O ATOM 1160 CB SER A 81 -16.382 -9.093 -3.560 1.00 0.69 C ATOM 1161 OG SER A 81 -16.951 -9.047 -4.859 1.00 1.17 O ATOM 0 H SER A 81 -14.440 -7.947 -4.712 1.00 0.50 H new ATOM 0 HA SER A 81 -16.672 -7.049 -3.034 1.00 0.55 H new ATOM 0 HB2 SER A 81 -15.584 -9.835 -3.533 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.136 -9.409 -2.839 1.00 0.69 H new ATOM 0 HG SER A 81 -17.298 -9.932 -5.095 1.00 1.17 H new ATOM 1167 N SER A 82 -15.641 -7.321 -0.781 1.00 0.59 N ATOM 1168 CA SER A 82 -14.977 -7.318 0.516 1.00 0.63 C ATOM 1169 C SER A 82 -14.483 -8.721 0.878 1.00 0.59 C ATOM 1170 O SER A 82 -15.265 -9.672 0.930 1.00 0.63 O ATOM 1171 CB SER A 82 -15.930 -6.788 1.583 1.00 0.77 C ATOM 1172 OG SER A 82 -16.443 -5.515 1.211 1.00 1.19 O ATOM 0 H SER A 82 -16.577 -6.916 -0.777 1.00 0.59 H new ATOM 0 HA SER A 82 -14.108 -6.663 0.464 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.752 -7.490 1.724 1.00 0.77 H new ATOM 0 HB3 SER A 82 -15.409 -6.711 2.537 1.00 0.77 H new ATOM 0 HG SER A 82 -17.053 -5.192 1.907 1.00 1.19 H new ATOM 1178 N GLY A 83 -13.176 -8.837 1.096 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.577 -10.130 1.375 1.00 0.62 C ATOM 1180 C GLY A 83 -11.811 -10.678 0.183 1.00 0.64 C ATOM 1181 O GLY A 83 -11.245 -11.768 0.246 1.00 0.79 O ATOM 0 H GLY A 83 -12.520 -8.056 1.084 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.903 -10.040 2.227 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.357 -10.836 1.659 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.783 -9.907 -0.899 1.00 0.58 N ATOM 1186 CA GLU A 84 -11.169 -10.340 -2.151 1.00 0.62 C ATOM 1187 C GLU A 84 -9.657 -10.122 -2.141 1.00 0.58 C ATOM 1188 O GLU A 84 -8.960 -10.503 -3.080 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.794 -9.552 -3.303 1.00 0.73 C ATOM 1190 CG GLU A 84 -11.567 -10.139 -4.682 1.00 1.17 C ATOM 1191 CD GLU A 84 -12.213 -9.296 -5.760 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -13.459 -9.207 -5.782 1.00 1.43 O ATOM 1193 OE2 GLU A 84 -11.482 -8.714 -6.586 1.00 1.55 O ATOM 0 H GLU A 84 -12.183 -8.969 -0.934 1.00 0.58 H new ATOM 0 HA GLU A 84 -11.349 -11.408 -2.275 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.867 -9.476 -3.130 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.396 -8.538 -3.287 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -10.497 -10.217 -4.873 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -11.972 -11.150 -4.719 1.00 1.17 H new ATOM 1200 N MET A 85 -9.141 -9.522 -1.077 1.00 0.47 N ATOM 1201 CA MET A 85 -7.745 -9.180 -1.023 1.00 0.44 C ATOM 1202 C MET A 85 -7.038 -10.101 -0.054 1.00 0.47 C ATOM 1203 O MET A 85 -7.386 -11.274 0.081 1.00 0.73 O ATOM 1204 CB MET A 85 -7.571 -7.724 -0.582 1.00 0.39 C ATOM 1205 CG MET A 85 -8.232 -6.713 -1.501 1.00 0.37 C ATOM 1206 SD MET A 85 -7.566 -6.757 -3.176 1.00 0.39 S ATOM 1207 CE MET A 85 -8.561 -5.501 -3.976 1.00 0.39 C ATOM 0 H MET A 85 -9.675 -9.267 -0.246 1.00 0.47 H new ATOM 0 HA MET A 85 -7.311 -9.296 -2.016 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.981 -7.609 0.421 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.506 -7.500 -0.519 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.304 -6.906 -1.535 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.101 -5.713 -1.088 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.406 -5.546 -5.054 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.614 -5.674 -3.753 1.00 0.39 H new ATOM 0 HE3 MET A 85 -8.270 -4.517 -3.608 1.00 0.39 H new ATOM 1217 N MET A 86 -6.067 -9.556 0.629 1.00 0.33 N ATOM 1218 CA MET A 86 -5.291 -10.305 1.594 1.00 0.35 C ATOM 1219 C MET A 86 -5.903 -10.126 2.968 1.00 0.40 C ATOM 1220 O MET A 86 -6.572 -9.121 3.212 1.00 0.76 O ATOM 1221 CB MET A 86 -3.833 -9.833 1.615 1.00 0.33 C ATOM 1222 CG MET A 86 -3.138 -9.868 0.260 1.00 0.43 C ATOM 1223 SD MET A 86 -3.706 -8.569 -0.858 1.00 1.16 S ATOM 1224 CE MET A 86 -2.757 -8.954 -2.327 1.00 1.39 C ATOM 0 H MET A 86 -5.788 -8.579 0.535 1.00 0.33 H new ATOM 0 HA MET A 86 -5.303 -11.357 1.311 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.800 -8.814 2.000 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.273 -10.456 2.313 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.063 -9.769 0.407 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.308 -10.839 -0.204 1.00 0.43 H new ATOM 0 HE1 MET A 86 -2.997 -8.238 -3.113 1.00 1.39 H new ATOM 0 HE2 MET A 86 -1.693 -8.899 -2.098 1.00 1.39 H new ATOM 0 HE3 MET A 86 -3.003 -9.960 -2.666 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.691 -11.082 3.854 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.271 -11.022 5.191 1.00 0.32 C ATOM 1236 C LYS A 87 -5.929 -9.706 5.911 1.00 0.27 C ATOM 1237 O LYS A 87 -6.840 -8.969 6.288 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.836 -12.238 6.019 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.174 -12.144 7.502 1.00 0.97 C ATOM 1240 CD LYS A 87 -7.673 -12.144 7.748 1.00 1.46 C ATOM 1241 CE LYS A 87 -7.992 -12.018 9.231 1.00 2.00 C ATOM 1242 NZ LYS A 87 -7.379 -13.109 10.034 1.00 2.37 N ATOM 0 H LYS A 87 -5.123 -11.910 3.676 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.355 -11.048 5.082 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.308 -13.130 5.607 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.759 -12.369 5.912 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -5.720 -12.982 8.031 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -5.739 -11.234 7.915 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -8.133 -11.319 7.204 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -8.107 -13.064 7.358 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -7.635 -11.055 9.597 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -9.073 -12.030 9.370 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -7.795 -13.114 10.987 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -7.560 -14.023 9.573 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -6.353 -12.954 10.104 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.630 -9.357 6.085 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.254 -8.150 6.826 1.00 0.25 C ATOM 1258 C PRO A 88 -4.526 -6.886 6.018 1.00 0.22 C ATOM 1259 O PRO A 88 -4.683 -5.796 6.569 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.756 -8.332 7.063 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.290 -9.173 5.926 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.442 -10.071 5.564 1.00 0.27 C ATOM 0 HA PRO A 88 -4.825 -8.031 7.747 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.239 -7.372 7.083 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.563 -8.818 8.019 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.999 -8.553 5.078 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.415 -9.758 6.208 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.507 -10.221 4.486 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.338 -11.057 6.018 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.597 -7.057 4.707 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.857 -5.955 3.796 1.00 0.17 C ATOM 1272 C PHE A 89 -6.319 -5.532 3.908 1.00 0.18 C ATOM 1273 O PHE A 89 -6.620 -4.383 4.222 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.529 -6.412 2.366 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.718 -5.383 1.281 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.983 -5.075 0.804 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.624 -4.752 0.712 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -6.155 -4.156 -0.213 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.790 -3.838 -0.311 1.00 0.20 C ATOM 1280 CZ PHE A 89 -5.058 -3.538 -0.774 1.00 0.19 C ATOM 0 H PHE A 89 -4.477 -7.959 4.247 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.234 -5.097 4.050 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.493 -6.749 2.343 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -5.150 -7.276 2.131 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.847 -5.561 1.234 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.631 -4.977 1.072 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -7.148 -3.922 -0.568 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.928 -3.357 -0.750 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.188 -2.822 -1.572 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.218 -6.490 3.691 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.656 -6.247 3.755 1.00 0.24 C ATOM 1292 C GLU A 90 -9.048 -5.860 5.177 1.00 0.25 C ATOM 1293 O GLU A 90 -9.928 -5.027 5.385 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.408 -7.505 3.299 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.818 -7.257 2.767 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.841 -6.979 3.849 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -12.161 -7.907 4.622 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.357 -5.847 3.905 1.00 1.78 O ATOM 0 H GLU A 90 -6.970 -7.454 3.467 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.923 -5.425 3.091 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.824 -7.997 2.521 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.469 -8.198 4.138 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.793 -6.412 2.078 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -11.138 -8.127 2.193 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.362 -6.458 6.149 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.546 -6.115 7.557 1.00 0.29 C ATOM 1307 C ASP A 91 -8.409 -4.614 7.778 1.00 0.25 C ATOM 1308 O ASP A 91 -9.118 -4.027 8.597 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.523 -6.849 8.427 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.515 -6.349 9.858 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.331 -6.837 10.668 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.690 -5.469 10.181 1.00 0.54 O ATOM 0 H ASP A 91 -7.669 -7.188 5.985 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.552 -6.423 7.842 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.743 -7.916 8.419 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.529 -6.726 7.997 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.497 -4.001 7.040 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.276 -2.573 7.145 1.00 0.19 C ATOM 1319 C ALA A 92 -8.298 -1.803 6.318 1.00 0.18 C ATOM 1320 O ALA A 92 -8.747 -0.737 6.725 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.866 -2.224 6.709 1.00 0.22 C ATOM 0 H ALA A 92 -6.899 -4.473 6.362 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.399 -2.284 8.189 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.715 -1.148 6.793 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.149 -2.742 7.346 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.719 -2.531 5.674 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.683 -2.364 5.175 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.621 -1.700 4.269 1.00 0.19 C ATOM 1329 C VAL A 93 -10.985 -1.535 4.935 1.00 0.19 C ATOM 1330 O VAL A 93 -11.620 -0.487 4.835 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.807 -2.473 2.941 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.572 -1.626 1.941 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.473 -2.913 2.356 1.00 0.21 C ATOM 0 H VAL A 93 -8.361 -3.277 4.852 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.191 -0.725 4.041 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.384 -3.372 3.158 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.695 -2.182 1.012 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.552 -1.378 2.348 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -10.019 -0.708 1.743 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.644 -3.452 1.424 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.855 -2.037 2.160 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.963 -3.565 3.064 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.428 -2.580 5.620 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.687 -2.539 6.350 1.00 0.27 C ATOM 1345 C ARG A 94 -12.567 -1.638 7.577 1.00 0.25 C ATOM 1346 O ARG A 94 -13.567 -1.180 8.132 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.071 -3.948 6.792 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.113 -4.525 7.812 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.377 -5.991 8.070 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.452 -6.532 9.063 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.482 -7.792 9.499 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -12.412 -8.628 9.063 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.579 -8.218 10.370 1.00 1.70 N ATOM 0 H ARG A 94 -10.932 -3.469 5.685 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.457 -2.137 5.691 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.076 -3.930 7.214 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.103 -4.601 5.920 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -11.089 -4.397 7.461 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -12.201 -3.971 8.746 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -13.402 -6.122 8.416 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -12.281 -6.549 7.139 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.741 -5.909 9.446 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -13.110 -8.309 8.391 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -12.431 -9.591 9.400 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -9.858 -7.582 10.709 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.605 -9.182 10.701 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.334 -1.375 7.984 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.075 -0.636 9.209 1.00 0.25 C ATOM 1369 C ALA A 95 -11.027 0.868 8.953 1.00 0.26 C ATOM 1370 O ALA A 95 -10.777 1.658 9.867 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.787 -1.126 9.844 1.00 0.26 C ATOM 0 H ALA A 95 -10.495 -1.664 7.481 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.897 -0.816 9.902 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.599 -0.568 10.761 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.877 -2.187 10.076 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -8.959 -0.975 9.151 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.274 1.256 7.713 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.312 2.659 7.337 1.00 0.19 C ATOM 1379 C LEU A 96 -12.474 2.930 6.394 1.00 0.21 C ATOM 1380 O LEU A 96 -12.945 2.029 5.695 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.982 3.082 6.692 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.306 2.045 5.800 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.857 2.106 4.393 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.810 2.256 5.786 1.00 0.28 C ATOM 0 H LEU A 96 -11.453 0.612 6.943 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.459 3.251 8.240 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.159 3.980 6.100 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.288 3.355 7.486 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.516 1.056 6.208 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.360 1.358 3.775 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.928 1.907 4.413 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.680 3.097 3.976 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.343 1.508 5.145 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.587 3.252 5.404 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.420 2.160 6.799 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.958 4.161 6.399 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.012 4.553 5.488 1.00 0.31 C ATOM 1398 C LYS A 97 -13.410 5.364 4.344 1.00 0.28 C ATOM 1399 O LYS A 97 -12.195 5.555 4.292 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.098 5.357 6.212 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.447 5.307 5.509 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.452 6.256 6.119 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.701 6.335 5.257 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.389 5.022 5.152 1.00 1.61 N ATOM 0 H LYS A 97 -12.637 4.901 7.023 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.485 3.657 5.086 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.209 4.974 7.226 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.777 6.395 6.296 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.313 5.552 4.455 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.839 4.291 5.553 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -17.716 5.920 7.122 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.010 7.247 6.221 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -19.386 7.071 5.678 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.432 6.684 4.260 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.303 5.146 4.672 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -18.798 4.363 4.606 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.548 4.636 6.105 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.249 5.816 3.426 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.812 6.622 2.298 1.00 0.32 C ATOM 1420 C ILE A 98 -12.967 7.809 2.758 1.00 0.32 C ATOM 1421 O ILE A 98 -13.410 8.625 3.573 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.024 7.141 1.497 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -16.012 5.996 1.246 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.565 7.766 0.188 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.149 6.346 0.309 1.00 0.90 C ATOM 0 H ILE A 98 -15.253 5.634 3.442 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.202 5.983 1.660 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.532 7.912 2.076 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.467 5.146 0.835 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.429 5.676 2.201 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.431 8.128 -0.366 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -13.895 8.600 0.398 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.039 7.019 -0.407 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.800 5.480 0.187 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.722 7.175 0.726 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.745 6.636 -0.661 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.746 7.887 2.248 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.864 8.984 2.593 1.00 0.32 C ATOM 1439 C GLY A 99 -9.950 8.673 3.764 1.00 0.32 C ATOM 1440 O GLY A 99 -9.121 9.503 4.142 1.00 0.46 O ATOM 0 H GLY A 99 -11.349 7.208 1.599 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.257 9.240 1.725 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.464 9.862 2.832 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.087 7.489 4.349 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.258 7.112 5.488 1.00 0.19 C ATOM 1446 C ASP A 100 -8.118 6.210 5.046 1.00 0.15 C ATOM 1447 O ASP A 100 -8.292 5.362 4.169 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.086 6.411 6.567 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.027 7.343 7.294 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.550 8.325 7.900 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.249 7.093 7.277 1.00 0.37 O ATOM 0 H ASP A 100 -10.758 6.779 4.057 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.844 8.027 5.911 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.663 5.608 6.109 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.413 5.948 7.289 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.954 6.406 5.652 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.768 5.625 5.323 1.00 0.16 C ATOM 1458 C ILE A 101 -5.399 4.716 6.495 1.00 0.16 C ATOM 1459 O ILE A 101 -5.604 5.074 7.659 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.567 6.543 5.008 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.006 7.721 4.132 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.460 5.754 4.318 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -3.924 8.758 3.928 1.00 0.21 C ATOM 0 H ILE A 101 -6.805 7.105 6.380 1.00 0.18 H new ATOM 0 HA ILE A 101 -5.998 5.026 4.442 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.180 6.936 5.948 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.323 7.342 3.160 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.874 8.198 4.587 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.621 6.416 4.103 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.127 4.947 4.971 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.839 5.334 3.386 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.305 9.562 3.299 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.623 9.164 4.894 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.063 8.296 3.445 1.00 0.21 H new ATOM 1475 N SER A 102 -4.858 3.549 6.187 1.00 0.16 N ATOM 1476 CA SER A 102 -4.503 2.566 7.199 1.00 0.19 C ATOM 1477 C SER A 102 -3.058 2.738 7.641 1.00 0.18 C ATOM 1478 O SER A 102 -2.222 3.220 6.875 1.00 0.22 O ATOM 1479 CB SER A 102 -4.690 1.155 6.637 1.00 0.25 C ATOM 1480 OG SER A 102 -3.824 0.924 5.538 1.00 0.92 O ATOM 0 H SER A 102 -4.653 3.256 5.232 1.00 0.16 H new ATOM 0 HA SER A 102 -5.154 2.715 8.060 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.495 0.420 7.418 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.725 1.019 6.323 1.00 0.25 H new ATOM 0 HG SER A 102 -3.231 0.171 5.741 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.743 2.346 8.884 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.365 2.310 9.366 1.00 0.23 C ATOM 1488 C PRO A 103 -0.563 1.223 8.656 1.00 0.20 C ATOM 1489 O PRO A 103 -1.144 0.311 8.062 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.510 1.990 10.856 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.828 1.308 10.975 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.704 1.919 9.917 1.00 0.28 C ATOM 0 HA PRO A 103 -0.832 3.242 9.181 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.700 1.348 11.203 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.479 2.897 11.460 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.727 0.233 10.826 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -3.255 1.453 11.967 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.422 1.199 9.525 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -4.277 2.761 10.306 1.00 0.28 H new ATOM 1500 N ILE A 104 0.763 1.356 8.699 1.00 0.17 N ATOM 1501 CA ILE A 104 1.685 0.386 8.095 1.00 0.15 C ATOM 1502 C ILE A 104 1.264 -1.060 8.373 1.00 0.14 C ATOM 1503 O ILE A 104 1.386 -1.548 9.498 1.00 0.20 O ATOM 1504 CB ILE A 104 3.126 0.571 8.626 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.540 2.047 8.583 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.103 -0.280 7.822 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.519 2.651 7.197 1.00 0.17 C ATOM 0 H ILE A 104 1.232 2.140 9.154 1.00 0.17 H new ATOM 0 HA ILE A 104 1.652 0.574 7.022 1.00 0.15 H new ATOM 0 HB ILE A 104 3.150 0.242 9.665 1.00 0.15 H new ATOM 0 HG12 ILE A 104 2.874 2.620 9.228 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.544 2.144 8.996 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.112 -0.138 8.208 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.826 -1.331 7.907 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.070 0.020 6.775 1.00 0.15 H new ATOM 0 HD11 ILE A 104 3.824 3.696 7.251 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.207 2.105 6.552 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.511 2.588 6.788 1.00 0.17 H new ATOM 1519 N VAL A 105 0.772 -1.731 7.340 1.00 0.13 N ATOM 1520 CA VAL A 105 0.377 -3.129 7.442 1.00 0.15 C ATOM 1521 C VAL A 105 1.303 -3.997 6.590 1.00 0.15 C ATOM 1522 O VAL A 105 1.439 -3.784 5.385 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.108 -3.331 7.019 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.428 -2.567 5.747 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.445 -4.805 6.836 1.00 1.04 C ATOM 0 H VAL A 105 0.636 -1.325 6.414 1.00 0.13 H new ATOM 0 HA VAL A 105 0.466 -3.433 8.485 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.723 -2.936 7.828 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.472 -2.729 5.478 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.255 -1.503 5.909 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.787 -2.920 4.939 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.490 -4.906 6.541 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.807 -5.231 6.062 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.280 -5.335 7.774 1.00 1.04 H new ATOM 1535 N GLN A 106 1.960 -4.959 7.224 1.00 0.18 N ATOM 1536 CA GLN A 106 2.860 -5.855 6.518 1.00 0.20 C ATOM 1537 C GLN A 106 2.086 -7.024 5.922 1.00 0.23 C ATOM 1538 O GLN A 106 1.006 -7.376 6.396 1.00 0.29 O ATOM 1539 CB GLN A 106 3.955 -6.382 7.448 1.00 0.24 C ATOM 1540 CG GLN A 106 4.901 -5.310 7.962 1.00 0.25 C ATOM 1541 CD GLN A 106 6.087 -5.897 8.703 1.00 0.30 C ATOM 1542 OE1 GLN A 106 6.043 -6.092 9.916 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.159 -6.179 7.976 1.00 0.28 N ATOM 0 H GLN A 106 1.885 -5.137 8.226 1.00 0.18 H new ATOM 0 HA GLN A 106 3.331 -5.289 5.715 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.487 -6.877 8.299 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.534 -7.139 6.918 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.259 -4.712 7.124 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.358 -4.637 8.625 1.00 0.25 H new ATOM 0 HE21 GLN A 106 7.155 -6.002 6.971 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.988 -6.573 8.421 1.00 0.28 H new ATOM 1552 N THR A 107 2.645 -7.608 4.879 1.00 0.22 N ATOM 1553 CA THR A 107 2.018 -8.710 4.177 1.00 0.27 C ATOM 1554 C THR A 107 3.028 -9.807 3.875 1.00 0.34 C ATOM 1555 O THR A 107 4.162 -9.761 4.356 1.00 0.37 O ATOM 1556 CB THR A 107 1.405 -8.228 2.860 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.306 -7.304 2.238 1.00 0.22 O ATOM 1558 CG2 THR A 107 0.050 -7.571 3.094 1.00 0.27 C ATOM 0 H THR A 107 3.548 -7.331 4.495 1.00 0.22 H new ATOM 0 HA THR A 107 1.236 -9.108 4.823 1.00 0.27 H new ATOM 0 HB THR A 107 1.247 -9.086 2.206 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.836 -6.465 2.050 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.362 -7.238 2.141 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.629 -8.290 3.552 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.171 -6.714 3.756 1.00 0.27 H new ATOM 1566 N ASP A 108 2.611 -10.781 3.079 1.00 0.40 N ATOM 1567 CA ASP A 108 3.465 -11.901 2.703 1.00 0.49 C ATOM 1568 C ASP A 108 4.761 -11.427 2.047 1.00 0.45 C ATOM 1569 O ASP A 108 5.840 -11.937 2.354 1.00 0.53 O ATOM 1570 CB ASP A 108 2.724 -12.836 1.736 1.00 0.60 C ATOM 1571 CG ASP A 108 2.555 -12.237 0.350 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.802 -11.246 0.213 1.00 1.67 O ATOM 1573 OD2 ASP A 108 3.194 -12.736 -0.603 1.00 2.16 O ATOM 0 H ASP A 108 1.675 -10.818 2.676 1.00 0.40 H new ATOM 0 HA ASP A 108 3.716 -12.437 3.618 1.00 0.49 H new ATOM 0 HB2 ASP A 108 3.271 -13.776 1.656 1.00 0.60 H new ATOM 0 HB3 ASP A 108 1.742 -13.072 2.147 1.00 0.60 H new ATOM 1578 N SER A 109 4.661 -10.442 1.162 1.00 0.39 N ATOM 1579 CA SER A 109 5.795 -10.073 0.338 1.00 0.43 C ATOM 1580 C SER A 109 6.322 -8.676 0.657 1.00 0.53 C ATOM 1581 O SER A 109 7.275 -8.220 0.032 1.00 1.09 O ATOM 1582 CB SER A 109 5.423 -10.175 -1.141 1.00 0.47 C ATOM 1583 OG SER A 109 6.585 -10.252 -1.954 1.00 0.60 O ATOM 0 H SER A 109 3.816 -9.894 1.001 1.00 0.39 H new ATOM 0 HA SER A 109 6.599 -10.774 0.563 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.802 -11.056 -1.304 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.829 -9.308 -1.431 1.00 0.47 H new ATOM 0 HG SER A 109 7.380 -10.306 -1.384 1.00 0.60 H new ATOM 1589 N GLY A 110 5.714 -7.979 1.600 1.00 0.22 N ATOM 1590 CA GLY A 110 6.293 -6.740 2.039 1.00 0.19 C ATOM 1591 C GLY A 110 5.352 -5.901 2.860 1.00 0.16 C ATOM 1592 O GLY A 110 4.751 -6.370 3.824 1.00 0.24 O ATOM 0 H GLY A 110 4.844 -8.246 2.061 1.00 0.22 H new ATOM 0 HA2 GLY A 110 7.186 -6.952 2.627 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.613 -6.168 1.168 1.00 0.19 H new ATOM 1596 N LEU A 111 5.203 -4.670 2.437 1.00 0.12 N ATOM 1597 CA LEU A 111 4.531 -3.641 3.222 1.00 0.11 C ATOM 1598 C LEU A 111 3.411 -2.993 2.430 1.00 0.11 C ATOM 1599 O LEU A 111 3.492 -2.884 1.207 1.00 0.13 O ATOM 1600 CB LEU A 111 5.540 -2.567 3.623 1.00 0.12 C ATOM 1601 CG LEU A 111 6.184 -2.716 5.001 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.848 -4.073 5.166 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.197 -1.610 5.202 1.00 0.19 C ATOM 0 H LEU A 111 5.544 -4.343 1.533 1.00 0.12 H new ATOM 0 HA LEU A 111 4.105 -4.113 4.108 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.333 -2.549 2.876 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.041 -1.599 3.582 1.00 0.12 H new ATOM 0 HG LEU A 111 5.401 -2.642 5.756 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.295 -4.141 6.158 1.00 0.15 H new ATOM 0 HD12 LEU A 111 6.103 -4.860 5.049 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.624 -4.193 4.410 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.658 -1.713 6.184 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.965 -1.676 4.431 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.698 -0.643 5.135 1.00 0.19 H new ATOM 1615 N HIS A 112 2.370 -2.555 3.126 1.00 0.11 N ATOM 1616 CA HIS A 112 1.246 -1.893 2.483 1.00 0.12 C ATOM 1617 C HIS A 112 0.674 -0.780 3.348 1.00 0.14 C ATOM 1618 O HIS A 112 0.765 -0.815 4.574 1.00 0.22 O ATOM 1619 CB HIS A 112 0.114 -2.884 2.184 1.00 0.14 C ATOM 1620 CG HIS A 112 0.397 -3.850 1.082 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.996 -5.058 1.101 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 0.006 -3.639 -0.221 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.949 -5.561 -0.175 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.347 -4.685 -0.953 1.00 0.21 N flip ATOM 0 H HIS A 112 2.282 -2.647 4.138 1.00 0.11 H new ATOM 0 HA HIS A 112 1.634 -1.473 1.555 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.106 -3.446 3.092 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.785 -2.321 1.932 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.500 -2.758 -0.587 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.341 -6.517 -0.489 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.173 -4.795 -1.952 1.00 0.21 H new ATOM 1633 N ILE A 113 0.131 0.223 2.682 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.819 1.145 3.282 1.00 0.13 C ATOM 1635 C ILE A 113 -1.986 1.289 2.323 1.00 0.12 C ATOM 1636 O ILE A 113 -1.785 1.290 1.107 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.216 2.536 3.568 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.643 2.994 2.392 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.596 2.507 4.852 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.689 4.489 2.214 1.00 0.17 C ATOM 0 H ILE A 113 0.337 0.423 1.703 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.128 0.739 4.245 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.029 3.251 3.695 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.659 2.623 2.531 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.260 2.541 1.477 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.015 3.496 5.040 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.048 2.222 5.684 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.405 1.783 4.755 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.319 4.734 1.359 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.319 4.866 2.042 1.00 0.17 H new ATOM 0 HD13 ILE A 113 1.101 4.950 3.112 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.198 1.354 2.845 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.373 1.410 1.993 1.00 0.11 C ATOM 1654 C ILE A 114 -5.293 2.546 2.421 1.00 0.11 C ATOM 1655 O ILE A 114 -5.388 2.864 3.603 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.178 0.080 2.012 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.259 -1.147 1.948 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.150 0.042 0.844 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.823 -1.664 3.304 1.00 0.18 C ATOM 0 H ILE A 114 -3.394 1.369 3.846 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.012 1.581 0.979 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.725 0.045 2.954 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.774 -1.946 1.415 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.373 -0.894 1.365 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.709 -0.893 0.866 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.842 0.880 0.919 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.596 0.112 -0.092 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.176 -2.531 3.172 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.278 -0.882 3.833 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.701 -1.951 3.884 1.00 0.18 H new ATOM 1671 N LYS A 115 -5.943 3.171 1.452 1.00 0.13 N ATOM 1672 CA LYS A 115 -6.960 4.169 1.734 1.00 0.14 C ATOM 1673 C LYS A 115 -8.229 3.804 0.971 1.00 0.15 C ATOM 1674 O LYS A 115 -8.160 3.313 -0.161 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.481 5.580 1.345 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.632 5.901 -0.137 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.142 7.302 -0.480 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.658 7.753 -1.844 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.082 9.059 -2.267 1.00 0.61 N ATOM 0 H LYS A 115 -5.782 3.003 0.459 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.163 4.181 2.805 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.041 6.315 1.924 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.433 5.686 1.624 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.074 5.170 -0.723 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.680 5.805 -0.422 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.473 8.003 0.286 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.052 7.319 -0.478 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.417 6.995 -2.589 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -7.745 7.833 -1.810 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -6.852 9.728 -2.470 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -5.485 9.438 -1.505 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.506 8.924 -3.123 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.379 4.008 1.589 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.641 3.650 0.956 1.00 0.17 C ATOM 1695 C ARG A 116 -11.117 4.752 0.022 1.00 0.19 C ATOM 1696 O ARG A 116 -11.177 5.924 0.396 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.692 3.345 2.014 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.042 2.917 1.468 1.00 0.28 C ATOM 1699 CD ARG A 116 -13.875 2.299 2.573 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.126 1.723 2.096 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.817 0.812 2.778 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.382 0.401 3.966 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -16.939 0.315 2.280 1.00 1.87 N ATOM 0 H ARG A 116 -9.468 4.416 2.520 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.482 2.754 0.356 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.313 2.557 2.665 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.831 4.231 2.633 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.562 3.777 1.047 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -12.906 2.199 0.659 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.291 1.523 3.069 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -14.095 3.060 3.322 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.490 2.033 1.195 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -14.520 0.784 4.354 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -15.911 -0.297 4.489 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.277 0.630 1.371 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -17.465 -0.383 2.806 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.438 4.355 -1.197 1.00 0.22 N ATOM 1718 CA LEU A 117 -11.904 5.277 -2.224 1.00 0.27 C ATOM 1719 C LEU A 117 -13.424 5.267 -2.285 1.00 0.29 C ATOM 1720 O LEU A 117 -14.053 6.288 -2.554 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.332 4.876 -3.591 1.00 0.32 C ATOM 1722 CG LEU A 117 -9.919 5.380 -3.918 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -9.928 6.869 -4.195 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -8.949 5.065 -2.797 1.00 0.80 C ATOM 0 H LEU A 117 -11.384 3.384 -1.505 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.562 6.281 -1.973 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.329 3.788 -3.653 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.010 5.238 -4.364 1.00 0.32 H new ATOM 0 HG LEU A 117 -9.585 4.859 -4.815 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -8.916 7.203 -4.424 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.580 7.077 -5.044 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.295 7.400 -3.317 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -7.958 5.435 -3.059 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.285 5.547 -1.879 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -8.906 3.986 -2.646 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.002 4.100 -2.041 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.445 3.937 -2.032 1.00 0.30 C ATOM 1738 C ALA A 118 -15.824 2.712 -1.214 1.00 0.30 C ATOM 1739 O ALA A 118 -16.217 2.874 -0.043 1.00 1.10 O ATOM 1740 CB ALA A 118 -15.983 3.816 -3.453 1.00 0.39 C ATOM 1741 OXT ALA A 118 -15.695 1.588 -1.736 1.00 1.09 O ATOM 0 H ALA A 118 -13.484 3.243 -1.845 1.00 0.26 H new ATOM 0 HA ALA A 118 -15.892 4.819 -1.574 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.066 3.695 -3.423 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.734 4.717 -4.014 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.534 2.950 -3.939 1.00 0.39 H new